[ CAS No. 22007-68-7 ] {[proInfo.proName]}

Name: 22007-68-7|Isobutyrimidamide hydrochloride|95%
Brand: Ambeed
SKU: A197246
Price: 6.0 USD
Availability: InStock
Rating: 98 (28 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 22007-68-7

Structure of 22007-68-7 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 22007-68-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 22007-68-7 ]

SDS Specification

Alternatived Products of [ 22007-68-7 ]

Product Details of [ 22007-68-7 ]

CAS No. :	22007-68-7	MDL No. :	MFCD00173787
Formula :	C₄H₁₁ClN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	VWXLCWNPSOUPPE-UHFFFAOYSA-N
M.W :	122.60	Pubchem ID :	2782053
Synonyms :

Calculated chemistry of [ 22007-68-7 ]

Physicochemical Properties

Num. heavy atoms :	7
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.75
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	34.61
TPSA :	49.87 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.07
Log Po/w (WLOGP) :	1.38
Log Po/w (MLOGP) :	0.89
Log Po/w (SILICOS-IT) :	-0.15
Consensus Log Po/w :	0.64

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.21
Solubility :	7.59 mg/ml ; 0.0619 mol/l
Class :	Very soluble
Log S (Ali) :	-1.71
Solubility :	2.4 mg/ml ; 0.0196 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.33
Solubility :	57.2 mg/ml ; 0.467 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.51

Safety of [ 22007-68-7 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 22007-68-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 22007-68-7 ]
Downstream synthetic route of [ 22007-68-7 ]

[ 22007-68-7 ] Synthesis Path-Upstream 1~3

1
[ 52070-18-5 ]
[ 22007-68-7 ]

Reference： [1] Australian Journal of Chemistry, 2015, vol. 68, # 5, p. 814 - 824

2
[ 78-82-0 ]
[ 22007-68-7 ]

Reference： [1] Chemical Communications, 2014, vol. 50, # 45, p. 5980 - 5983
[2] Patent: US2049582, 1932, ,

3
[ 78-82-0 ]
[ 22007-68-7 ]

Reference： [1] Patent: US2049582, 1932, ,

[ 22007-68-7 ] Synthesis Path-Downstream 1~82

1
[ 78-82-0 ]
[ 22007-68-7 ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 5980 - 5983
[2]Patent: US2049582,1932,

2
[ 22007-68-7 ]
[ 141-97-9 ]
[ 2814-20-2 ]

Reference： [1]Journal of the American Chemical Society,1954,vol. 76,p. 118,121

3
[ 22007-68-7 ]
[ 728-74-5 ]
[ 38374-85-5 ]

Reference： [1]Helvetica Chimica Acta,1972,vol. 55,p. 1566 - 1595

4
[ 141-79-7 ]
[ 22007-68-7 ]
[ 101558-53-6 ]

Reference： [1]Journal of Heterocyclic Chemistry,1989,vol. 26,p. 251 - 254

5
[ 1501-06-0 ]
[ 22007-68-7 ]
[ 1027275-98-4 ]

Reference： [1]Journal of Medicinal Chemistry,1994,vol. 37,p. 542 - 550

6
[ 22007-68-7 ]
[ 75276-52-7 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1980,p. 1139 - 1146

7
[ 22007-68-7 ]
[ 79499-48-2 ]

Reference： [1]Journal of Organic Chemistry,1981,vol. 46,p. 5048 - 5050

8
[ 22007-68-7 ]
[ 79499-48-2 ]
[ 79449-49-3 ]
C₄H₇Cl₃N₂ [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1981,vol. 46,p. 5048 - 5050

9
[ 22007-68-7 ]
[ 459-57-4 ]
[ 7152-15-0 ]
[ 123837-53-6 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 52 - 60

10
[ 22007-68-7 ]
[ 79-22-1 ]
[ 85593-47-1 ]

Reference： [1]Liebigs Annalen der Chemie,1985,p. 2363 - 2370

11
[ 22007-68-7 ]
[ 372-31-6 ]
[ 35252-95-0 ]

Yield	Reaction Conditions	Operation in experiment
		To 21 g of sodium methoxide (28% methanol solution) , 4 g of <strong>[22007-68-7]2-methylpropionamidine hydrochloride</strong> and 4 g of 4,4,4- trifluoro-3-oxo-butanoic acid ethyl ester were added. This mixture was heated under reflux for 17 hours. The reaction mixture was left standing to cool and then concentrated. To the residue, 10% hydrochloric acid was added. A precipitated crystal was collected by filtration. This crystal was washed with water. This crystal was dissolved in ethyl acetate. This ethyl acetate solution was dried over anhydrous magnesium sulfate and then concentrated. The residue was washed with hexane to obtain 2.8 g of 2- isopropyl-6-trifluoromethylpyrimidin-4-ol . 2-isopropyl-6-trif luoromethylpyrimidin-4-ol1H-NMR: 1.40(d,6H) , 2.98-3.05 (m, IH) , 6.71(s,lH) , 13.03(bs,lH)

Reference： [1]Monatshefte fur Chemie,1990,vol. 121,p. 289 - 292
[2]Patent: WO2010/134478,2010,A1 .Location in patent: Page/Page column 158; 159

12
[ 7472-70-0 ]
[ 22007-68-7 ]
2-Isopropylidene-N,N'-di-p-tolyl-2H-imidazole-4,5-diamine [ No CAS ]

Reference： [1]Synthesis,1996,p. 1302 - 1304

13
[ 22007-68-7 ]
[ 546-89-4 ]
[ 29648-80-4 ]
[ 192888-11-2 ]

Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 4379 - 4382

14
[ 22007-68-7 ]
[ 29648-80-4 ]
[ 192888-11-2 ]

Reference： [1]Tetrahedron Letters,1997,vol. 38,p. 4379 - 4382

15
[ 78-82-0 ]
sodium amide [ No CAS ]
[ 22007-68-7 ]

Reference： [1]Patent: US2049582,1932,

16
[ 22007-68-7 ]
[ 100-52-7 ]
Wang's resin-bound -OCOCH₂CO₂CH₂CF₃ [ No CAS ]
2-isopropyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-pyrimidine-5-carboxylic acid [ No CAS ]

Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4973 - 4976

17
[ 22007-68-7 ]
[ 100-52-7 ]
Wang's resin-bound -OCOCH₂CO₂CH₂CF₃ [ No CAS ]
2-isopropyl-6-oxo-4-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid [ No CAS ]

Reference： [1]Tetrahedron Letters,1999,vol. 40,p. 4973 - 4976

18
[ 61151-90-4 ]
[ 22007-68-7 ]
[ 237435-13-1 ]

Yield	Reaction Conditions	Operation in experiment
1.6 g (29%)	With HCl (conc.); sodium ethanolate; In ethanol;	(a) 2-Isopropyl-6-methyl-4-hydroxy-5-benzamido-pyrimidine. To a solution of sodium ethoxide (Aldrich Chemical Company) (3.30 g, 0.046 mol) in absolute ethanol (70 mL) was added <strong>[22007-68-7]isopropylcarbamidine hydrochloride</strong> (Maybridge Chemical Company) (2.70 g, 0.022 mol). After stirring at 25 C. for 0.5 h this slurry was filtered through a plug of celite into a solution of 2-benzoylamino-3-oxo-butyric acid ethyl ester (Example 1(b)) (5.01 g, 0.020 mol) in absolute EtOH (50 mL). The reaction mixture was placed under a N2 atmosphere and allowed to stir at room temperature overnight. HCl (conc.) was added to acidify the solution to a pH of 4-5 (pH paper). The solids which precipitated out of solution were removed by filtration and the filtrate was concentrated under reduced pressure to give a gummy brown solid. This material was purified by recrystallization from acetone to give 1.6 g (29%) of the title compound as a white solid. Mp: 252.5-254 C. 1H NMR (DMSO-d6; 500 MHz): delta 1.21 (d, 6, J=6.9), 2.12 (s,3), 2.83 (septet, 1, J=6.9), 7.52 (t, 2, J=7.6), 7.59 (t, 1, J=7.4), 7.97 (d, 2, J=7.4), 9.56 (s,1), 12.51 (s,1). MS m/z: 272 (M+1). HRMS: Calcd for M+Na, C15H17ON4: 319.1555. Found: 319.1566.

Reference： [1]Journal of Medicinal Chemistry,2000,vol. 43,p. 4288 - 4312
[2]Patent: US6187777,2001,B1

19
[ 22007-68-7 ]
sodium (1Z)-2-(dimethoxymethyl)-3-methoxy-3-oxoprop-1-en-1-olate [ No CAS ]
methyl 2-isopropylpyrimidine-5-carboxylate [ No CAS ]

Reference： [1]Synthesis,2002,p. 720 - 722

20
[ 872-85-5 ]
[ 78-38-6 ]
[ 3939-09-1 ]
[ 22007-68-7 ]
4-(2,4-difluoro-phenyl)-2-isopropyl-5-methyl-6-pyridin-4-yl-pyrimidine [ No CAS ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 1663 - 1665

21
[ 120-57-0 ]
[ 683-08-9 ]
[ 1194-02-1 ]
[ 22007-68-7 ]
4-benzo[1,3]dioxol-5-yl-6-(4-fluoro-phenyl)-2-isopropyl-pyrimidine [ No CAS ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 1663 - 1665

22
[ 22007-68-7 ]
5-Chloro-4-[1-chloro-1-dimethylamino-meth-(Z)-ylidene]-1-methyl-3,4-dihydro-2H-pyrrolium; chloride [ No CAS ]
(2-isopropyl-7-methyl-6,7-dihydro-5<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)-dimethyl-amine [ No CAS ]

Reference： [1]Tetrahedron Letters,2005,vol. 46,p. 1177 - 1179

23
[ 38768-08-0 ]
[ 22007-68-7 ]
2-isopropyl-3H-cycloheptimidazol-4-one [ No CAS ]

Reference： [1]Chemical and Pharmaceutical Bulletin,2006,vol. 54,p. 703 - 705

24
[ 1004528-69-1 ]
[ 22007-68-7 ]
[ 1004528-70-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	In ethanol; for 18h;Heating / reflux;	To ethyl 3- ( (dimethylamino)methylene) -4- oxocyclohexanecarboxylate (700 mg, 3.1 mmol) in EtOH (10 itiL) was added isobutyramidine hydrochloride (1.9 g, 15.5 mmol) and the mixture was heated to reflux for 18 hours. After cooling down, the mixture was concentrated to dryness and water (30 mli) was added. The aqueous layer was extracted with DCM (3X30 mli) and the combined organic layers were washed with brine and dried over MgSd. Concentration yielded ethyl 2-isopropyl- 5, 6, 7, 8-tetrahydroquinazoline-6-carboxylate as a yellow oil (750 mg, 98%): 1H NMR (400 MHz, CDCl3) delta 1-29 (t, 3H, J = 7.0 Hz), 1.31 (s, 3H), 1.33 (s, 3H), 1.90-2.01 (m, IH), 2.25-3.00 (m, 6H), 3.10-3.17 (m, IH), 4.19 (q, 2H, J = 7 Hz), 8.39 (s, IH); m/z (APCI pos) 249.2 (100%) [M+H] .

Reference： [1]Patent: WO2008/11130,2008,A2 .Location in patent: Page/Page column 311-312

25
[ 35967-24-9 ]
[ 22007-68-7 ]
[ 19981-17-0 ]
C₁₅H₂₁N₅O₃ [ No CAS ]
C₁₁H₁₄N₄O₃ [ No CAS ]

Reference： [1]Tetrahedron Letters,2007,vol. 48,p. 435 - 437

26
[ 22007-68-7 ]
2-amino-4-phenylthiophene-3-carboxamide [ No CAS ]
[ 1056054-96-6 ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol; for 18h;Heating / reflux;	A stirred mixture of 2-amino-4-phenylthiophene-3-carboxylic acid ethyl ester (350.43g, 1.54mol), isopropylacetamidine hydrochloride (958.75g, 7.7mol) and ethanol (1500ml) was heated under reflux for 18 hours then allowed to cool to ambient temperature. The resulting solid was collected by filtration, washed with a little cold ethanol, then crystallised from ethanol to give 2-Isopropyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one as a yellow solid which was used without further purification.

Reference： [1]Patent: WO2004/111057,2004,A1 .Location in patent: Page 33

27
[ 72835-76-8 ]
[ 22007-68-7 ]
6-(3-chloro-4-fluorophenyl)-2-isopropylpyrimidin-4-ol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In toluene; at 20℃; for 20h;	Dissolve ethyl 3- (3-CHLORO-4-FLUOROPHENYL)-3-OXOPROPANOATE (1. 22 g, 0. 005 moles) and isobutyramidine hydrochloride (0. 73 g, 0. 005 moles) in toluene (25. 0 mL) under nitrogen atmosphere. Add K2CO3 (3. 45 g, 0. 05 moles) to the reaction mixture and stir at room temperature for 20 hours. Dilute the reaction mixture with water, acidify to pH 6. 0 to 7. 0, extract with DCM (3 x 100 mL), wash with water and dry with MGS04. Filter and evaporate under vacuum to afford the title product as white solid.

Reference： [1]Patent: WO2005/7648,2005,A2 .Location in patent: Page 101

28
[ 404569-73-9 ]
[ 22007-68-7 ]
4-(3,5-dichlorophenyl)-2-isopropyl-6-methyl-N-(3-phenylpropyl)-5-pyrimidinecarboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
24%	With sodium acetate;	EXAMPLE 99 Synthesis of 4-(3,5-dichlorophenyl)-2-isopropyl-6-methyl-N-(3-phenylpropyl)-5-pyrimidinecarboxamide: The title compound was obtained by using 100 mg (0.266 mmol) of 2-acetyl-3-(3,5-dichlorophenyl)-N-(3-phenylpropyl) acrylamide, 48.9 mg (0.399 mmol) of isopropyl-carbamidine hydrochloride and 43.6 mg (0.532 mmol) of sodium acetate, in the same manner as that of Example 61. Yield: 28.0 mg (0.0663 mmol) (24%) MS (ESI, m/z) 442 (M+H)+ 440 (M-H)- 1H-NMR (CDCl3): 1.36 (6H, d), 1.75 (2H, quint), 2.49 (2H, t), 2.58 (3H, s), 3.22 (1H, quint), 3.34 (2H, q), 5.49 (1H, br t), 7.07-7.09 (2H, m), 7.15-7.20 (1H, m), 7.24-7.29 (3H, m), 7.40-7.41 (1H, m), 7.70-7.71 (2H, m).
	With sodium acetate;	Example 99 Synthesis of 4-(3,5-dichlorophenyl)-2-isopropyl-6-methyl-N-(3-phenylpropyl)-5-pyrimidinecarboxamide: The title compound was obtained by using 100 mg (0.266 mmol) of 2-acetyl-3-(3,5-dichlorophenyl)-N-(3-phenylpropyl) acrylamide, 48.9 mg (0.399 mmol) of isopropyl-carbamidine hydrochloride and 43.6 mg (0.532 mmol) of sodium acetate, in the same manner as that of Example 61. Yield: 28.0 mg (0.0663 mmol) (24%) MS (ESI, m/z) 442 (M+H)+ 440 (M-H)- 1H-NMR (CDCl3): 1.36 (6H, d), 1.75 (2H, quint), 2.49 (2H, t), 2.58 (3H, s), 3.22 (1H, quint), 3.34 (2H, q), 5.49 (1H, br t), 7.07-7.09 (2H, m), 7.15-7.20 (1H, m), 7.24-7.29 (3H, m), 7.40-7.41 (1H, m), 7.70-7.71 (2H, m).

Reference： [1]Patent: US2004/9991,2004,A1 .Location in patent: Page/Page column 35
[2]Patent: EP1318147,2003,A1

29
4-[(Dimethylamino)methylene]-3,4-dihydro-1H-1-benzazepine-2,5-dione [ No CAS ]
[ 22007-68-7 ]
[ 476363-44-7 ]

Yield	Reaction Conditions	Operation in experiment
87%		a 5,7-Dihydro-2-(1-methylethyl)-6H-pyrimido[5,4-d][1]benzazepine-6-one Analogous to Scheme 1, from 4-[(dimethylamino)methylene]-3,4-dihydro-1H-benzazepine-2,5-dione and isobutyramidine hydrochloride. Yield: 87%. White solid, m/z 253 (M).

Reference： [1]Patent: US2003/55042,2003,A1

30
4-[(dimethylamino)methylene]-7-fluoro-3,4-dihydro-1H-benzazepine-2,5-dione [ No CAS ]
[ 22007-68-7 ]
[ 476363-65-2 ]

Yield	Reaction Conditions	Operation in experiment
60%		a 10-Fluoro-5,7-dihydro-2-(1-methylethyl)-6H-pyrimido[5,4-d][1]benzazepin-6-one Analogous to Scheme 1, from 4-[(dimethylamino)methylene]-7-fluoro-3,4-dihydro-1H-benzazepine-2,5-dione and isobutyramidine hydrochloride. Yield: 60%. White solid, m/z (ISP) 272 (MH).

Reference： [1]Patent: US2003/55042,2003,A1

31
4-[(dimethylamino)methylene]-3,4-dihydro-7-methyl-1H-benzazepine-2,5-dione [ No CAS ]
[ 22007-68-7 ]
[ 476364-04-2 ]

Yield	Reaction Conditions	Operation in experiment
91%		a 5,7-Dihydro-10-methyl-2-(1-methylethyl)-6H-pyrimido[5,4-d][1]benzazepin-6-one Analogous to Scheme 1 from 4-[(dimethylamino)methylene]-3,4-dihydro-7-methyl-1H-benzazepine-2,5-dione and isobutyramidine hydrochloride. Yield: 91%. White solid, m/z (ISP) 268 (MH).

Reference： [1]Patent: US2003/55042,2003,A1

Yield	Reaction Conditions	Operation in experiment
		B. To a 250 ml. flask, charge 7.5 gm. (0.13 mole) 30% aqueous ammonia, and 10 ml. water. With ice bath cooling, charge the methyl isobutyrimidate solution dropwise, maintaining the temperature below 10 C. and the pH at 9.5-9.8 with 25% NaOH. When all the imidate has been added, adjust the pH to 9.0-9.5 and allow to stir at room temperature one hour to give isobutyramidine hydrochloride.

33
[ 22007-68-7 ]
[ 79-22-1 ]
N-methoxycarbonyl-2-methylpropionamidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In diethyl ether; water;	EXAMPLE 4 165 parts of methyl chloroformate and 141.8 parts of sodium hydroxide in 590 parts of water are added via two inlets to 221 parts of <strong>[22007-68-7]2-methylpropionamidine hydrochloride</strong> in 1,000 parts of diethyl ether, at from 25 to 30 C., in the course of 40 minutes, while stirring. The mixture is stirred at room temperature for one hour, and the organic phase is separated off. The aqueous phase is extracted again with 200 parts of diethyl ether, and the solvent is removed from the combined organic extracts to give 223 parts (86% of theory) of N-methoxycarbonyl-2-methylpropionamidine of melting point 127-130 C.

Reference： [1]Patent: US4522763,1985,A

34
[ 22007-68-7 ]
[ 3490-92-4 ]
[ 96823-92-6 ]

Yield	Reaction Conditions	Operation in experiment
	In N-methyl-acetamide; water; mineral oil;	EXAMPLE 8 1,4-Dihydro-2-(1-methylethyl)-6-(methylthio)-4-oxo-5-pyrimidinecarbonitrile (IV: R1 =1-methylethyl) A solution of <strong>[22007-68-7]2-methylpropanimidamide hydrochloride</strong> (7.0 g, described in Example 7) in dimethylformamide (15 mL) was added dropwise to a suspension of sodium hydride (3.0 g, 50% in mineral oil, prewashed with hexane) in dimethylformamide (15 mL) and the whole mixture was left at 25 C. for 1 hr. 2-Cyano-3,3-bis(methylthio)-2-propenoic acid, methyl ester (6.5 g) in dimethylformamide (15 mL) was then added dropwise, and the reaction mixture was stirred for an additional 4 hr at 25 C. Water (25 mL) was then added, and acidification with concentrated hydrochloric acid (10 mL) precipitated the product. The precipitate was collected and air dried to give the title compound (6.0 g): mp>260 C. Similarly, by replacing 2-methylpropanimidamide with another 20 compound of formula described in Example 7, the following compounds of formula IV were obtained respectively: 1,4-dihydro-2-ethyl-6-(methylthio)-4-oxo-5-pyrimidinecarbonitrile (mp>260 C.), 1,4-dihydro-2-(1,1-dimethylethyl)-6-(methylthio)-4-oxo-5-pyrimidinecarbonitrile (mp>360 C.), 2-cyclopropyl-1,4-dihydro-6-(methylthio)-4-oxo-5-pyrimidinecarbonitrile [NMR (DMSO-d6) delta 1.2 (d, 4H), 2.0 (m, 1H), 2.5 (s, 3H)], and 1,4-dihydro-6-(methylthio)-4-oxo-2-(phenylmethyl)-5-pyrimidinecarbonitrile [NMR (DMSO-d6) delta 2.6 (s, 3H), 4.0 (s, 2H), 7.4 (s, 5H)].

Reference： [1]Patent: US4505910,1985,A

35
5-methyl-3-oxo-2-(pyridin-4-ylmethylene)pentanoic acid,ethyl ester [ No CAS ]
[ 22007-68-7 ]
2,6-diisopropyl-4-(pyridin-4-yl)-5-carbethoxy-1,5-dihydropyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium acetate; In ethanol;	Step 1 : 2,6-diisopropyl-4-(4-pyridyl)-5-carbethoxy-1,5-dihydropyrimidine (a compound Bh): To a solution of 24.2 g of isopropyl amidine hydrochloride in ethanol is added 16.5 g of sodium acetate and the mixture is stirred at room temperature for one half hour. To the mixture is then added 48 g of a solution of 5-methyl-3-oxo-2-(4-pyridylmethylene)pentanoic acid, ethyl ester in ethanol, and the resulting mixture refluxed for about 24 hours. The mixture is then poured into a liter of water, extracted 3 times with ether, the combined extracts are dried, filtered and evaporated to obtain crude product as an orange-red oily residue. The residue is refined by flash chromatographing, eluding with methanol/MTBE (1:9 v/v) to obtain refined product (yellow solid; M.P. 103.5-105).

Reference： [1]Patent: EP367895,1990,A1

36
[ 22007-68-7 ]
[ 1027-35-6 ]
[ 10280-53-2 ]

Yield	Reaction Conditions	Operation in experiment
23%	With potassium tert-butylate; In tert-butyl alcohol; at 100℃; for 6h;	6-Benzyl-2-isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol. To a solution of 1-benzyl-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester hydrochloride (U.S. Pat. No. 3,312,716; 0.568 g, 2.30 mmol) in tert-BuOH was added isobutyramidine hydrochloride (0.282 g, 2.30 mmol) and KOtBu (0.516 g, 4.6 mmol). After heating for 6 h at 100° C., the reaction was cooled to rt, concentrated, diluted with water and washed with Et2O. The organic layer discarded. The aqueous layer was adjusted to pH 7 and extracted with Et2O. The organic layers were then dried and concentrated to give 0.145 g (23percent) of the title compound of yellow solid that was used without further purification.

Reference： [1]Patent: US2007/32481,2007,A1 .Location in patent: Page/Page column 35

37
[ 1433545-47-1 ]
[ 22007-68-7 ]
1-[4-(4-fluoro-phenyl)-2-isopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-ethanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In tert-Amyl alcohol; for 16h;Heating / reflux;	A solution of crude 1-[5'-(4-fluoro-benzoyl)-3,4,5,6,3',6'-hexahydro-2H,2'H-[1,4']bipyridinyl-1'-yl]-ethanone in t-amyl alcohol (1.5 L) was treated with Et3N (108 mL, 0.78 mol) and 2-methyl propanimidamide hydrochloride (82.6 g, 0.67 mol). The reaction mixture was heated at reflux for 16 h and then was cooled to rt. The mixture was concentrated, and the residue was diluted with water (2 L) and extracted with EtOAc (2×). The combined organic layers were dried (MgSO4) and concentrated to afford the crude title compound, which was used in next reaction without further purification. HPLC: RT=8.11 min. MS (ESI): exact mass calcd. for C18H20FN3O, 313.16; m/z found, 314.0 [M+H]+. 1H NMR (CDCl3; mixture of rotamers): 7.60-7.50 (m, 2H), 7.24-7.12 (m, 2H), 4.71 (s, 1.4H), 4.56 (s, 0.6H), 3.93 (t, J=6.2, 0.6H), 3.80 (t, J=6.2, 1.4H), 3.18 (sept, J=6.8, 1H), 3.07 (t, J=6.2, 1.4H), 3.02 (t, J=6.2, 0.6H), 2.15 (s, 2.1H), 2.00 (s, 0.9H), 1.34 (d, J=6.8, 6H).

Reference： [1]Patent: US2007/32481,2007,A1 .Location in patent: Page/Page column 47

38
[ 22007-68-7 ]
[ 108-59-8 ]
[ 1197-04-2 ]

Yield	Reaction Conditions	Operation in experiment
71%		Reference Example 8; 4-isopropoxgamma-2-isopropgammal-6-itauiotaethoxgammapyrimidine-5- alphaarbaldehyde; (step 1); To a 1.83M sodium ethoxide'/ethanol (200 mL) solution were added dimethyl malonate (19.6 g) and 2- methyl-propionamidine monohydrochloride "(15.0 g) at 0C, ' and the mixture was heated under reflux for 4 hrs . The reaction mixture was concentrated underiota reduced pressure, and the residue was dissolved in water and acidified with 6N hydrochloric acid at 0C. The precipitate wa's collected by filtration, and washed ' <n="94"/>with ethanol and diethyl ether to give 2- isopropylpyrimidine-4, 6-diol (13.4 g, 71%) as a white powder .1H-NMR (300MHz, DMSO-d6) : delta l.17 (-6H7 d, J=6.9Hz) , 2.77 (IH, quintet, 6.9Hz) , 5.07 (IH, s) , 11.54 (2H, br)

Reference： [1]Patent: WO2007/89031,2007,A1 .Location in patent: Page/Page column 92-93

39
[ 22007-68-7 ]
[ 105-56-6 ]
[ 6287-38-3 ]
[ 945003-53-2 ]

Yield	Reaction Conditions	Operation in experiment
55%	With potassium carbonate; In ethanol; at 50℃; for 2h;	3,4-dichlorobenzaldehyde (4.2 g, 24 mmol), <strong>[22007-68-7]isopropylcarbamidine hydrochloride</strong> (2.94g, 24 mmol), ethylcyanoacetate (2.7 g, 24 mmol), and K2CO3 (3.65g, 26.4 mmol) were mixed in 100 mL dry EtOH under N2 and heated at 50 0C for 2 hours. The solvent was removed and the residue treated with water and EtOAc. The organic layer was concentrated and dried under high vacuum to yield the desired product (4.1 g, 55% yield). MS m/z calculated for (M + H)+ 308/310, found 308/310 (di-chloro pattern).

Reference： [1]Patent: WO2007/84560,2007,A2 .Location in patent: Page/Page column 227-228

40
[ 22007-68-7 ]
[ 141642-82-2 ]
[ 1023953-91-4 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2008,vol. 18,p. 2103 - 2108

41
[ 1029803-99-3 ]
[ 22007-68-7 ]
[ 1029804-00-9 ]

Yield	Reaction Conditions	Operation in experiment
30%	With N,N,N',N'-tetramethylguanidine; In N,N-dimethyl-formamide; for 24h;Heating / reflux;	Reference Example 116: 2-Isopropyl-4-(1-methyl-1-(3-nitro-phenyl)-ethyl)-1H-imidazole. A solution of l-bromo-3-methyl-3-(3-nitro-phenyl)-butan-2-one (2.28 g, 8.0 rnmol), isobutyramidine hydrochloride (3.58 g, 23.7 mmol) and 1,1,3,3- tetramethylguanidine (2.4 mL, 19.1 mmol) in DMF (10 mL) was heated at reflux for 24h. The mixture was diluted with water and extracted with ethyl acetate. The organic phase was dried over sodium sulfate and concentrated to afford 2-isopropyl-4-[l- methyl-l-(3-nitro-phenyl)-ethyl]-lH-imidazole (0.65 g, 30%)-as a cream-coloured solid.

Reference： [1]Patent: WO2008/62182,2008,A1 .Location in patent: Page/Page column 116

42
[ 945217-60-7 ]
[ 22007-68-7 ]
[ 1202067-77-3 ]

Yield	Reaction Conditions	Operation in experiment
80%	In ethanol; at 80℃; for 18h;	INTERMEDIATE 66c/.y-(3,6V2-Isopropyl-3a.4.6.6a-tetrahydro-lH-pyrrolo[3.,4-(i\|imidazole-5-carboxylic acid fert-butyl esterTo a solution of Intermediate 42 (112 mg, 0.56 mmol) in EtOH (5 mL) was added isopropylcarbamidine hydrochloride (178 mg, 1.46 mmol) and the mixture stirred at 800C for 18 h. After this time the mixture was evaporated in vacuo. The crude product was purified by chromatography (SiO2; 92.5:6.25:0.75 ? 90:9:1 DCM/MeOEta/28% aqueous NH3) to obtain the title compound as a brown oil (114 mg, 80%). deltaH (CDCl3) 4.61-4.26 (2H, m), 3.57 (2H, dd, J 1.9, 12.2 Hz), 3.52-3.44 (2H, m), 2.59-2.43 (2H, m), 1.45 (9H, s), 1.19 (3H, s), 1.17 (3H, s).

Reference： [1]Patent: WO2009/153554,2009,A1 .Location in patent: Page/Page column 60

43
[ 5029-67-4 ]
[ 201230-82-2 ]
[ 22007-68-7 ]
C₁₀H₁₃N₃O [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 325 - 328

44
[ 201230-82-2 ]
[ 696-62-8 ]
[ 22007-68-7 ]
[ 1211548-06-9 ]

Reference： [1]Angewandte Chemie - International Edition,2010,vol. 49,p. 325 - 328

45
2-Bromo-1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazol-3-yl]-ethanone [ No CAS ]
[ 22007-68-7 ]
[ 681179-06-6 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 5351 - 5354

46
[ 1221885-33-1 ]
[ 22007-68-7 ]
[ 1221884-64-5 ]

Yield	Reaction Conditions	Operation in experiment
	With pyridine; at 150℃; for 0.5h;Microwave irradiation;	The appropriate keto-ene-amine (1 eq.) and the appropriate amidine- or guanidine salt (1-3 eq.) are taken up in pyridine and heated to 150 0C for 30 min using microwaves. The reaction mixture is cooled to RT, an aequeous saturated solution of NaHCO3 is added and the reaction mixture is extracted with ethyl acetate. The combined organic phases are washed with water and brine, dried on MgSO4 and the solvents are removed under reduced pressure. The product may be purified using NP or RP column chromatography.

Reference： [1]Patent: WO2010/43676,2010,A1 .Location in patent: Page/Page column 29

47
[ 22007-68-7 ]
[ 91157-98-1 ]
4⁽⁵⁾-acetyl-2-(2-propyl)-1H-imidazole [ No CAS ]

Reference： [1]Tetrahedron Letters,2010,vol. 51,p. 6126 - 6128

48
[ 156270-06-3 ]
[ 22007-68-7 ]
C₁₂H₁₄N₄O [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2011,vol. 76,p. 1177 - 1179

49
[ 22007-68-7 ]
[ 25503-90-6 ]
C₁₂H₂₁N₃O₂ [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2011,vol. 76,p. 1177 - 1179

50
[ 766-38-1 ]
[ 22007-68-7 ]
[ 1267301-54-1 ]

Yield	Reaction Conditions	Operation in experiment
73%		A-9: 2-Isopropyl-5-(pyrimidin-5-ylamino)-pyrimidine-4-carboxylic acid methyl esterStep 1: 5-Bromo-2-isopropyl-pyrimidine-4-carboxylic acidTo a stirred suspension of isobutyramidine hydrochloride (6.47 g, 47.5 mmol) at r.t. in EtOH (30 ml) under an argon atmosphere was added sodium ethylate solution (21 ml, 21% in EtOH) over 5 min. The suspension was heated to 50 C. and a solution of mucobromic acid (5.7 g, 22.1 mmol) in EtOH (24 ml) was added dropwise over 5 min at 50 C. An additional portion of sodium ethylate solution (12 ml, 21% in EtOH) was added dropwise over 5 min. The mixture was then cooled to r.t. The solids were filtered off, and the cake was washed with plenty of ethanol. The filtrate was concentrated to leave the crude product as a light brown solid. The crude material was triturated in 2 N HCl (100 ml). The product was collected by filtration, washed with plenty of H2O and plenty of n-heptane and dried to give the product (2.09 g, 73%) as beige solid. MS: M=244.9 (M-H)+
73%		A-9: 2-Isopropyl-5-fpyrimidin-5-ylamino)-pyrimidine-4-carboxylic acid methyl esterStep 1: 5-Bromo-2-isopropyl-pyrimidine-4-carboxylic acidTo a stirred suspension of isobutyramidine hydrochloride (6.47 g, 47.5 mmol) at r.t. in EtOH (30 ml) under an argon atmosphere was added sodium ethylate solution (21 ml, 21 % in EtOH) over 5 min. The suspension was heated to 50C and a solution of mucobromic acid (5.7 g, 22.1 mmol) in EtOH (24 ml) was added dropwise over 5 min at 50C. An additional portion of sodium ethylate solution (12 ml, 21 % in EtOH) was added dropwise over 5 min. The mixture was then cooled to r.t.. The solids were filtered off, and the cake was washed with plenty of ethanol. The filtrate was concentrated to leave the crude product as a light brown solid. The crude material was triturated in 2 N HC1 (100 ml). The product was collected by filtration, washed with plenty of H20 and plenty of n-heptane and dried to give the product (2.09 g, 73%) as beige solid.MS: M = 244.9 (M-H)+
73%		To a stirred suspension of isobutyramidine hydrochloride (6.47 g, 47.5 mmol) at rt in EtOH (30 ml) under an argon atmosphere was added NaOEt solution (21 ml, 21% in EtOH) over 5 min. The suspension was heated to 50C and a solution of mucobromic acid (5.7 g, 22.1 mmol) in EtOH (24 ml) was added dropwise over 5 min at 50C. An additional portion of NaOEt solution (12 ml, 21% in EtOH) was added dropwise over 5 min. The mixture was then cooled to rt. The solids were filtered off, and the cake was washed with plenty of ethanol. The filtrate was concentrated to leave the crude product as a light brown solid. The crude material was triturated in 2 N HC1 (100 ml). The product was collected by filtration, washed with plenty of H20 and plenty of n-heptane and dried to give the product (2.09 g, 73%) as beige solid. MS: M = 244.9 (M-H)'

Reference： [1]Patent: US2011/183979,2011,A1 .Location in patent: Page/Page column 20
[2]Patent: WO2011/89132,2011,A1 .Location in patent: Page/Page column 51
[3]Patent: WO2011/154327,2011,A1 .Location in patent: Page/Page column 103; 104

51
[ 1367874-63-2 ]
[ 22007-68-7 ]
[ 7803-57-8 ]
[ 1367875-42-0 ]

Yield	Reaction Conditions	Operation in experiment
		Example 1303- -triazol-5-yl)-4-(tetrahydro-2H-pyran-4-yloxy)- 1 H-pyrazolo[4, 3-c]pyridineStep 13-(3-isopropyl- 1H-1,2, 4-triazol-5-yl)-4-(tetrahydro-2H-pyran-4~yloxy)-1-trityl- 1 H-pyrazolo[4, 3- cpyridineA round-bottomed flask was charged 3-iodo-4-(tetrahydro-2 +pyran-4-yloxy)-1-trityl-1H- pyrazolo[4,3-c]pyridine (0.300 g, 0.511 mmol), <strong>[22007-68-7]isopropylcarbamidine hydrochloride</strong> (0.0939 g, 0.766 mmol), palladium acetate (0.00573 g, 0.0255 mmol) and 4,5-bis(diphenylphosphino)-9,9- dimethylxanthene (0.0148 g, 0.0255 mmol). / /,/V-dimethylformamide (4.0 mL, 52 mmol) and triethylamine (0.48 mL, 3.4 mmol) were added via syringe and nitrogen was bubbled through the mixture for 5 mins. A carbon monoxide balloon was added and carbon monoxide was bubbled through the mixture for 2 mins. The reaction was heated to 80 C for 2.5 hours. The carbon monoxide balloon was removed and replaced with a nitrogen balloon and the reaction mixture was cooled to room temperature, then 0 C. Acetic acid (2 mL, 40 mmol) and hydrazine hydrate (0.08 mL, 2 mmol) were added. The reaction was stirred at 0 C for 5 minutes then warmed to room temperature for 1 hour. Upon reaction completion, the reaction mixture was diluted with 40 mL of EtOAc, washed with 1 N NaOH (aq)and brine. The extracts were dried over sodium sulfate, filtered and concentrated in vacuo to give the crude product.

Reference： [1]Patent: WO2012/38743,2012,A1 .Location in patent: Page/Page column 179-180

52
[ 1367874-63-2 ]
[ 22007-68-7 ]
[ 1367875-49-7 ]

Yield	Reaction Conditions	Operation in experiment
		Example 1683-(5-lsopropyl-4H-1,2,44riazoi-3-yi)-N-(tetrahydro-2H^yran-4-yl)-1H-pyamiStep 1 3-(3-lsopropyl-1 H-1 ,2,4-triazol-5-yl)-1-(4-methoxybenzyl)-N-(tetrahydro-2H-pyran-4-yl)-1H- pyrazolo[4,3-c]pyridin-4-amineTo a round-bottomed flask was charged 3-iodo-4-(tetrahydro-2 -/-pyran-4-yloxy)-1 -trityl-1 H- pyrazolo[4,3-c]pyridine (0.200 g, 0.431 mmol), <strong>[22007-68-7]isopropylcarbamidine hydrochloride</strong> (0.0792 g, 0.646 mmol), palladium acetate (0.0048 g, 0.0215 mmol) and 4,5-bis(diphenylphosphino)-9,9- dimethylxanthene (0.0125 g, 0.0215 mmol). W,W-dimethylformamide (3.4 mL, 44 mmol) and triethylamine (0.40 mL, 2.9 mmol) were added via syringe and nitrogen was bubbled through the mixture for 5 mins. A carbon monoxide balloon was added and carbon monoxide was bubbled through the mixture for 2 mins. The reaction was heated to 80 C for 2.5 hours. The carbon monoxide balloon was removed and replaced with a nitrogen balloon and the reaction mixture was cooled to room temperature, then 0 C. Acetic acid (2 mL, 30 mmol) and hydrazine hydrate (0.07 mL, 1 mmol) and the reaction was stirred at 0 C for 5 minutes then warmed to room temperature for 1 hour. Upon reaction completion, the reaction mixture was diluted with 40 mL EtOAc, washed with 1 N NaOH (aq) and brine. Dried over sodium sulfate, filtered and concentrated in vacuo to give the crude product.

Reference： [1]Patent: WO2012/38743,2012,A1 .Location in patent: Page/Page column 196-197

53
[ 109-04-6 ]
[ 22007-68-7 ]
[ 1384863-18-6 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3800 - 3803

54
[ 4363-93-3 ]
[ 104-92-7 ]
[ 22007-68-7 ]
[ 1384863-23-3 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3800 - 3803

55
[ 583-70-0 ]
[ 22007-68-7 ]
[ 111296-09-4 ]

Reference： [1]Organic Letters,2012,vol. 14,p. 3800 - 3803

56
[ 22007-68-7 ]
[ 594-42-3 ]
[ 51302-12-6 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; In dichloromethane; at 0 - 20℃; for 5.33333h;	To a mixture of 2-methyl propanimidamide hydrochloride (5.0 g, 40.8 mmol), trichloromethanesulfenyl chloride (7.14 g, 38.4 mmol) in methylene chloride (200 mL) at 0 C was added dropwise an aqueous solution of sodium hydroxide (50%, 9.9 mL) over 20 minutes. The reaction mixture was stirred for 2 h at 0 C and then was allowed to warm to room temperature, and stirred for an additional 3 h. Ice was added to the reaction mixture, the mixture was separated, and the aqueous layer was extracted with methylene chloride (3 x 25 mL). The combined organic extracts were dried over magnesium sulfate, filtered and concentrated under reduced pressure. The resulting residue was purified by medium pressure liquid chromatography (0 to 100% gradient of ethyl acetate in hexanes as eluant) to provide the title compound as a oil (3.8 g).

Reference： [1]Patent: WO2008/124092,2008,A2 .Location in patent: Page/Page column 46

57
[ 507487-90-3 ]
[ 22007-68-7 ]
[ 1217487-05-2 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 3741 - 3748

58
[ 923745-45-3 ]
[ 22007-68-7 ]
C₁₈H₁₇N₃O [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 24001 - 24004

59
[ 289633-12-1 ]
[ 22007-68-7 ]
[ 76-05-1 ]
1,2-bis(2-isopropyl-1H-imidazol-4-yl)ethane trifluoroacetate salt [ No CAS ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 5980 - 5983

60
[ 1616809-39-2 ]
[ 22007-68-7 ]
[ 1616809-24-5 ]

Yield	Reaction Conditions	Operation in experiment
5%	With sodium hydroxide; In tetrahydrofuran; water; for 16h;	To a mixture of 2-methyl-propanimidamide.HC1 (35 mg, 0.28mmol) in THF (0.2 mL) was added a 10 N solution of NaOH (4 drops), followed by a solution of 3- (3,4-difluorophenylcarbamoyl)-4-fluorobenzene-1-sulfonyl chloride (50 mg, 0.14 mmol) in THF (0.2 mL). The reaction was stirred for 16 hours. The mixture was concentrated, then the residue was partitioned between EtOAc (20 mL) and dilute NaHCO3 (5 mL). The organic layer was washed with water (5 mL), and brine (1 mL), dried (Na2SO4), and concentrated. The cmde material was purified by preparative-HPLC to give the desired product (2 mg, 5%) as an off-white solid. MS: M+H 400.

Reference： [1]Patent: WO2014/106019,2014,A2 .Location in patent: Paragraph 0687

61
[ 52070-18-5 ]
[ 22007-68-7 ]

Yield	Reaction Conditions	Operation in experiment
	With ammonia; In ethanol; for 5h;Green chemistry;	General procedure: Dry hydrogen chloride (1.3 mol) was added to an ice-cooled solution of 1 mol nitrile and 1.3 mol ethanol. The solution was stirred for two days at room temperature. A solution of 25 g (1.5 mol) of ammonia in absolute ethanol was prepared and added to the formed imido acid ethyl ester solution. The reaction mixture was stirred for 5 h, the precipitated NH4Cl was filtered off, and the clear solution was stored in a closed flask. A sodium ethanolate solution was prepared with 46 g (2 mol) of sodium in1 L of ethanol. The amidine hydrochloride-ethanol solution and 160 g (1 mol) of diethyl malonate were added. A white precipitate was immediately formed and the mixture was refluxed for 4 h. The solvent was distilled off under reduced pressure, and the crude sodium salt was dissolved in 1 L of water. From the clear solution the 2-substituted 6-hydroxy-[3H]-pyrimidin-4-one was precipitated by addition of aqueous concentrated hydrochloric acid. The precipitate was isolated, washed with distilled water, and dried under vacuum at 80C for 6 h.

Reference： [1]Australian Journal of Chemistry,2015,vol. 68,p. 814 - 824

62
[ 22007-68-7 ]
[ 105-53-3 ]
[ 1197-04-2 ]

Yield	Reaction Conditions	Operation in experiment
96 g	With sodium ethanolate; In ethanol; for 4h;Reflux; Green chemistry;	General procedure: Dry hydrogen chloride (1.3 mol) was added to an ice-cooled solution of 1 mol nitrile and 1.3 mol ethanol. The solution was stirred for two days at room temperature. A solution of 25 g (1.5 mol) of ammonia in absolute ethanol was prepared and added to the formed imido acid ethyl ester solution. The reaction mixture was stirred for 5 h, the precipitated NH4Cl was filtered off, and the clear solution was stored in a closed flask. A sodium ethanolate solution was prepared with 46 g (2 mol) of sodium in1 L of ethanol. The amidine hydrochloride-ethanol solution and 160 g (1 mol) of diethyl malonate were added. A white precipitate was immediately formed and the mixture was refluxed for 4 h. The solvent was distilled off under reduced pressure, and the crude sodium salt was dissolved in 1 L of water. From the clear solution the 2-substituted 6-hydroxy-[3H]-pyrimidin-4-one was precipitated by addition of aqueous concentrated hydrochloric acid. The precipitate was isolated, washed with distilled water, and dried under vacuum at 80C for 6 h.

Reference： [1]Australian Journal of Chemistry,2015,vol. 68,p. 814 - 824

63
[ 6626-40-0 ]
[ 22007-68-7 ]
N′-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-isobutyrimidamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2015,vol. 58,p. 3411 - 3431

64
[ 22007-68-7 ]
[ 88284-48-4 ]
[ 25844-23-9 ]

Yield	Reaction Conditions	Operation in experiment
50%	With caesium carbonate; cesium fluoride; In acetonitrile; at 50℃; for 5h;	General procedure: To a suspension of free-base amidine or HCl salt ofamidine (0.2 mmol) in MeCN (4.0 ml) were added o-silyl aryl triflate (1.5 eq.), Cs2CO3 (1.5eq. if used) and CsF (2.0 eq.). The reaction mixture was stirred at 50 C forthe time indicated. The reaction was diluted with DCM (5 mL), filtered andconcentrated. The product was purified by chromatography.

Reference： [1]Tetrahedron Letters,2015,vol. 56,p. 4623 - 4626

65
[ 334687-36-4 ]
[ 22007-68-7 ]
[ 1012795-29-7 ]

Reference： [1]MedChemComm,2016,vol. 7,p. 966 - 971

66
[ 34846-90-7 ]
[ 22007-68-7 ]
[ 68210-25-3 ]

Yield	Reaction Conditions	Operation in experiment
84%	With potassium carbonate; In ethanol; at 85℃; for 10h;	The mixture of methyl 3-methoxyacrylate (4.0g, 34.4mmol), isobutyrimidamide hydrochloride (12.64g, 103.2 mmol) and potassium carbonate (15.2g, 110.1 mmol) in ethanol (50 mL) was stined at 85 °C for 10h. The reaction mixture was filtered through a pad of celite. The filtrate was evaporated under reduced pressure to get 2-isopropylpyrimidin-4(3H)-one (4.0g,84percent). ?H NMR (400 MHz, DMSO-d6): oe 12.37 (br s, 1H), 7.84 (d, J= 6.6 Hz, 1H), 6.14 (d, J=6.6 Hz, 1H), 2.71 ? 2.83 (m, 1H), 0.97 (d, J= 6.9 Hz, 6H)); LC-MS: 138.9 [M+H].

Reference： [1]Patent: WO2016/185342,2016,A1 .Location in patent: Page/Page column 44; 45

67
C₂₂H₁₈Cl₃N₃O₂S [ No CAS ]
[ 22007-68-7 ]
N-(1-amino-2-methylpropylidene)-3-(4-chlorophenyl)-N'-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboximidamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 1126 - 1141

68
C₁₄H₁₂Br₂O₂ [ No CAS ]
[ 22007-68-7 ]
C₁₈H₁₉BrN₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
8.2 g	With potassium hydroxide; In ethanol; for 2h;Reflux;	10.0 g of compound SM-30 (References Chemistry-A European Journal, 2016, 22(30),Method for preparation of P10415)Disperse in 250 ml of ethanol, add 4.9 g of isopropylguanidine hydrochloride and 8.8 g of potassium hydroxide.The mixture was stirred and refluxed for 2 hours, and cooled to room temperature.The organic layer was concentrated to dryness under reduced pressure. 150 ml of ice water was added, and the filter cake was washed with water and dried.Separation and purification on a silica gel column gave 8.2 g of a yellow solid.

Reference： [1]Patent: CN108164564,2018,A .Location in patent: Paragraph 0159; 0162; 0163; 0164

69
C₂₁H₂₄N₂O₅S [ No CAS ]
[ 22007-68-7 ]
[ 7400-27-3 ]
C₂₈H₃₈N₆O₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		YYY-4 (40 mg, 0.096 mmol) is dissolved in N,N-dimethylacetamide (1 ml). HATU (40.3 mg, 0.106 mmol) is added and the mixture is stirred to result in a solution. To the resulting solution is added <strong>[22007-68-7]2-methylpropanimidamide hydrochloride</strong> (17.7 mg, 144 jtmol), followed by diisopropylamine (5 1.830 iL, 0.288 mmol). The mixture is then shaken at rt for 3 hours. A solution of t-butylhydrazine hydrochloride (18 mg, 144 imol) in DMA (0.5 mL) is added followed by acetic acid (55 iL, 0.960 mmol). The mixture is shaken at 80 C for 3 hours. The reaction mixture is purified by reverse phase HPLC to obtain Example 42.

Reference： [1]Patent: WO2018/111803,2018,A1 .Location in patent: Page/Page column 42; 43

70
C₂₁H₂₄N₂O₅S [ No CAS ]
[ 22007-68-7 ]
cyclopropyl hydrazine [ No CAS ]
C₂₈H₃₇N₅O₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		YYY-4 (40 mg, 0.096 mmol) is dissolved in N,N-dimethylacetamide (1 ml). HATU (40.3 mg, 0.106 mmol) is added and the mixture is stirred to result a solution. To the resulting solution is added <strong>[22007-68-7]2-methylpropanimidamide hydrochloride</strong> (17.7 mg, 144 jtmol), followed by diisopropylamine (5 1.830 iL, 0.288 mmol). The mixture is then shaken at rt for 3 hours. A solution of cyclopropylhydrazine (10.4 mg, 144 imol) in DMA (0.5 mL) is added followed by acetic acid (55 iL, 0.960 mmol). The mixture is shaken at 80 C for 3 hours. The reaction mixture is purified by reverse phase HPLC to obtain Example 21.

Reference： [1]Patent: WO2018/111803,2018,A1 .Location in patent: Page/Page column 42; 44

71
[ 22007-68-7 ]
[ 65-85-0 ]
N-(1-Imino-2-methyl-propyl)-benzamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 3h;	General procedure: A mixture of a carboxylic acid (2 mmol), the corresponding amidine salt (2 mmol), HBTU (834 mg, 2.2 mmol) and DIPEA (1.03 g,8 mmol) in DMF (8 mL) was stirred at room temperature for 3 h. Itwas then quenched with H2O (30 mL) and extracted with EtOAc(3 10 mL). The combined organic layer was washed with H2O(10 mL) and brine (10 mL) successively, dried over anhydrous Na2SO4, concentrated, and purified through silica gel column chromatography to give the substrate 2.

Reference： [1]Tetrahedron,2018,vol. 74,p. 4613 - 4618

72
(R)-methyl 3-(4-(isobutyl(tetrahydro-2H-pyran-4-yl)amino)-3-isothiocyanatophenyl)butanoate [ No CAS ]
[ 22007-68-7 ]
C₂₅H₃₈N₄O₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With copper(II) bis(trifluoromethanesulfonate); caesium carbonate; at 20℃; for 2h;	(R)-methyl 3-(4-(isobutyl(tetrahydro-2H-pyran-4-yl)amino)-3- isothiocyanatophenyl)butanoate and cesium carbonate (280 mg, 0.861 mmol) were dissolved in Acetonitrile (3.00 ml_), copper(ll) trifluoromethanesulfonate (5.19 mg, 0.014 mmol) and isobutyrimidamide, Hydrochloride (52.8 mg, 0.430 mmol) were added to the solution and the mixture was stirred at r.t for 2 h under air. The reaction mixture was diluted with water, extracted with ethyl acetate, the organic phase was dried over sodium sulfate and concentrated, crude product was used in the next step without further purifi cation.

Reference： [1]Patent: WO2018/116107,2018,A1 .Location in patent: Page/Page column 77

73
[ 591-50-4 ]
[ 22007-68-7 ]
[ 25844-23-9 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 7645 - 7649

74
[ 201230-82-2 ]
[ 1367874-63-2 ]
[ 22007-68-7 ]
[ 1367875-42-0 ]

Yield	Reaction Conditions	Operation in experiment
		To a round-bottomed flask was added 3-iodo-4-((tetrahydro-2H-pyran-4-yl)oxy)-1-trityl-1H-pyrazolo[4,3-c]pyridine (0.300 g, 0.511 mmol), <strong>[22007-68-7]2-methylpropionamidine hydrochloride</strong> (0.0939 g, 0.766 mmol), palladium acetate (0.0057 g, 0.026 mmol) and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (0.0148 g, 0.026 mmol) . N,N-dimethylformamide (4.0 mL, 52 mmol) and triethylamine (0.48 mL, 3.4 mmol) were added and nitrogen was bubbled through the mixture for 5 mins. A balloon of CO was then attached and CO was bubbled through the mixture for 2 mins. The mixture was then heated to 80 C for 2 h. The CO balloon was removed, a nitrogen balloon was attached and the reaction was cooled to rt, then 0 C. Acetic acid (2 mL, 40 mmol) and hydrazine hydrate (0.08 mL, 2 mmol) were added, the reaction was stirred at 0 C for 5 mins then warmed to rt and stirred for 1 h. The reaction mixture was then diluted with 40 mL EtOAc, washed with 1 N NaOH (aq) (1x) and brine (1x). The organic layer was dried over sodium sulfate, filtered and concentrated in vacuo to yield the title compound which was used directly in the next step.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2019,vol. 29,p. 674 - 680

75
[ 201230-82-2 ]
[ 1367874-54-1 ]
[ 22007-68-7 ]
C₂₄H₃₀N₆O₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To a round-bottomed flask was added 3-iodo-4-((tetrahydro-2H-pyran-4-yl)oxy)-1-trityl-1H-pyrazolo[4,3-c]pyridine (0.200 g, 0.431 mmol), 2-methylpropionamidine (0.0792 g, 0.646 mmol), palladium acetate (0.0049 g, 0.022 mmol) and 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (0.0125 g, 0.022 mmol). N,N-dimethylformamide (3.4 mL, 44 mmol) and triethylamine (0.40 mL, 2.9 mmol) were added and nitrogen was bubbled through the mixture for 5 mins. A balloon of CO was then attached and CO was bubbled through the mixture for 2 mins. The mixture was then heated to 80 C for 2 h. The CO balloon was removed, a nitrogen balloon was attached and the reaction was cooled to rt, then 0 C. Acetic acid (2 mL, 40 mmol) and hydrazine hydrate (0.08 mL, 2 mmol) were added, the reaction was stirred at 0 C for 5 mins then warmed to rt and stirred for 1 h. The reaction mixture was then diluted with 40 mL EtOAc, washed with 1 N NaOH (aq) (1x) and brine (1x). The organic layer was dried over sodium sulfate, filtered and concentrated in vacuo to yield the title compound which was used directly in the next step.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2019,vol. 29,p. 674 - 680

76
methyl 2-bromo-5-[(1-methylcyclopropyl)sulfamoyl]benzoate [ No CAS ]
[ 22007-68-7 ]
2-isopropyl-N-(1-methylcyclopropyl)-4-oxo-3H-quinazoline-6-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792

77
[ 22007-68-7 ]
[ 2216-94-6 ]
[ 65010-23-3 ]

Yield	Reaction Conditions	Operation in experiment
72%	With triethylamine; In ethanol; at 150℃; for 1h;Inert atmosphere; Microwave irradiation; Green chemistry;	General procedure: Isobutyramidine hydrochloride (8) (1 eq.), Et3N (1 eq.) and ethyl 3-phenylpropiolate (4a) or ethyl 3-(4-(trifluoromethyl) phenyl) propiolate (4b) (1.5 eq.) in EtOH (5 mL) was irradiated in microwave at 150 C for 1 h. Reaction mixture was allowed to cool to room temperature. Resultant solid was filtered and dried (Scheme-I).

Reference： [1]Asian Journal of Chemistry,2019,vol. 31,p. 845 - 850

78
[ 22007-68-7 ]
[ 337510-18-6 ]
6-(4-(trifluoromethyl)phenyl)-2-isopropylpyrimidin-4(3H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
74%	With triethylamine; In ethanol; at 150℃; for 1h;Inert atmosphere; Microwave irradiation; Green chemistry;	General procedure: Isobutyramidine hydrochloride (8) (1 eq.), Et3N (1 eq.) and ethyl 3-phenylpropiolate (4a) or ethyl 3-(4-(trifluoromethyl) phenyl) propiolate (4b) (1.5 eq.) in EtOH (5 mL) was irradiated in microwave at 150 C for 1 h. Reaction mixture was allowed to cool to room temperature. Resultant solid was filtered and dried (Scheme-I).

Reference： [1]Asian Journal of Chemistry,2019,vol. 31,p. 845 - 850

79
ethyl 1-(6-methyl-4-((1-methylcyclopropyl)amino)furo[2,3-d]pyrimidine-5-carbonyl)-3-oxopiperidine-4-carboxylate [ No CAS ]
[ 22007-68-7 ]
2-isopropyl-7-(6-methyl-4-((1-methylcyclopropyl)amino)furo[2,3-d]pyrimidine-5-carbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
7%	With sodium ethanolate; In ethanol; for 2h;Reflux;	To a stirred solution of <strong>[22007-68-7]isobutyrimidamide hydrochloride</strong> (92 mg, 0.75 mmol) and 1-(6-methyl-4-((1- methylcyclopropyl)amino)furo[2,3-d]pyrimidine-5-carbonyl)-3-oxopiperidine-4-carboxylate (200 mg, 0.50 mmol) in ethanol (5 mL) was added sodium ethoxide in ethanol (21% w/w, 0.37 mL, 1.0 mmol). The mixture was heated to reflux for 2 h, cooled to room temperature, diluted with DCM and washed with water. The aqueous layer was extracted with DCM and the combined organics were washed with brine, dried over MgSO4 and concentrated under vacuum. The solvent was evaporated and the residue was dissolved in methanol and purified by prep HPLC (elution with 5-50% ACN in water containing 0.05% TFA). The fraction containing product was lyophilized to afford the title compound (19 mg, 7%) as an off-white solid. 1H NMR (400 MHz, CD3OD) delta 8.42 (s, 1H), 4.63 (br s, 2H), 3.91 (br s, 2H), 2.87 (td, J = 6.8, 13.6 Hz, 1H), 2.67 (br s, 2H), 2.60 (s, 3H), 1.50 (s, 3H), 1.29 (d, J = 6.8 Hz, 6H), 0.93 - 0.86 (m, 4H). [M+H] = 423.0.

Reference： [1]Patent: WO2019/104285,2019,A1 .Location in patent: Page/Page column 152-153

80
[ 22007-68-7 ]
[ 71233-25-5 ]
tert-butyl 2-isopropyl-4-oxo-3,4,5,6-tetrahydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With sodium ethanolate; In ethanol; for 20h;Reflux;	2-Methylpropanimidamide hydrochloride (153 mg, 1.24 mmol) and sodium ethoxide (21% w/w, 0.62 mL, 1.66 mmol) were added to a stirred solution of 1-(tert-butyl) 4- ethyl 3-oxopiperidine-1,4-dicarboxylate (225 mg, 0.83 mmol) in ethanol (8.3 mL) and the reaction was refluxed for 20 h. The reaction was cooled to room temperature, diluted with DCM and washed with brine. The aqueous layer was extracted with DCM and the combined organics were washed with brine, dried over MgSO4 and concentrated under vacuum. The residue was purified by column chromatography (elution with 0-100% ethyl acetate and heptane) to afford the title compound (189 mg, 78%) as a white solid. 1H NMR (400 MHz, CD3OD) delta 4.34 (s, 2H), 3.68 - 3.54 (m, 2H), 2.84 (spt, J = 6.9 Hz, 1H), 2.51 (t, J = 5.7 Hz, 2H), 1.49 (s, 9H), 1.28 (d, J = 7.0 Hz, 6H). [M+H] = 294.3.

Reference： [1]Patent: WO2019/104285,2019,A1 .Location in patent: Page/Page column 136

81
methyl (±)-(3R,3aR,8bR)-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-1-(tosyloxy)-3a,8b-dihydro-3H-cyclopenta[b]benzofuran-2-carboxylate [ No CAS ]
[ 22007-68-7 ]
methyl (±)-(3aR,4R,5S,5aR,10bR)-3a-hydroxy-2-isopropyl-8,10-dimethoxy-5a-(4-methoxyphenyl)-5-phenyl-3a,4,5,5a-tetrahydro-1H-benzofuro[3',2':1,5]cyclopenta[1,2-d]imidazole-4-carboxylate [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2019,vol. 141,p. 12891 - 12900

82
[ 22007-68-7 ]
1,3-dibenzyl-6-chloropyridinine-2,4(1H,3H)-dione [ No CAS ]
N-(1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)isobutyrimidamide [ No CAS ]

Reference： [1]Organic Letters,2020,vol. 22,p. 914 - 919

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 22007-68-7 ]

Aliphatic Chain Hydrocarbons

[ 18202-73-8 ]

Pivalimidamide hydrochloride

Similarity: 0.94

[ 3599-89-1 ]

Propionimidamide hydrochloride

Similarity: 0.82

[ 849833-56-3 ]

(Z)-N'-Hydroxyisobutyrimidamide

Similarity: 0.67

[ 18257-46-0 ]

Pentanimidamide hydrochloride

Similarity: 0.67

[ 124-42-5 ]

Acetamidine hydrochloride

Similarity: 0.59

Amidines

[ 18202-73-8 ]

Pivalimidamide hydrochloride

Similarity: 0.94

[ 3599-89-1 ]

Propionimidamide hydrochloride

Similarity: 0.82

[ 57297-29-7 ]

Cyclopropanecarboximidamide hydrochloride

Similarity: 0.81

[ 849833-56-3 ]

(Z)-N'-Hydroxyisobutyrimidamide

Similarity: 0.67

[ 18257-46-0 ]

Pentanimidamide hydrochloride

Similarity: 0.67

Amines

[ 18202-73-8 ]

Pivalimidamide hydrochloride

Similarity: 0.94

[ 3599-89-1 ]

Propionimidamide hydrochloride

Similarity: 0.82

[ 57297-29-7 ]

Cyclopropanecarboximidamide hydrochloride

Similarity: 0.81

[ 849833-56-3 ]

(Z)-N'-Hydroxyisobutyrimidamide

Similarity: 0.67

[ 18257-46-0 ]

Pentanimidamide hydrochloride

Similarity: 0.67

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 22007-68-7 ] {[proInfo.proName]}

Quality Control of [ 22007-68-7 ]

Related Doc. of [ 22007-68-7 ]

Product Details of [ 22007-68-7 ]

Calculated chemistry of [ 22007-68-7 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 22007-68-7 ]

Application In Synthesis of [ 22007-68-7 ]

[ 22007-68-7 ] Synthesis Path-Upstream 1~3

[ 22007-68-7 ] Synthesis Path-Downstream 1~82

Related Functional Groups of [ 22007-68-7 ]

Aliphatic Chain Hydrocarbons

Amidines

Amines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 22007-68-7 ]