[ CAS No. 80936-82-9 ] {[proInfo.proName]}

Name: 80936-82-9|4-(Methoxymethyl)aniline|97%
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Quality Control of [ 80936-82-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 80936-82-9 ]

CAS No. :	80936-82-9	MDL No. :	MFCD06804487
Formula :	C₈H₁₁NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	URSADVDNUKPSIK-UHFFFAOYSA-N
M.W :	137.18	Pubchem ID :	15212002
Synonyms :

Calculated chemistry of [ 80936-82-9 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.25
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	41.7
TPSA :	35.25 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.55 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.6
Log Po/w (XLOGP3) :	0.83
Log Po/w (WLOGP) :	1.27
Log Po/w (MLOGP) :	1.21
Log Po/w (SILICOS-IT) :	1.43
Consensus Log Po/w :	1.27

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.53
Solubility :	4.09 mg/ml ; 0.0298 mol/l
Class :	Very soluble
Log S (Ali) :	-1.15
Solubility :	9.65 mg/ml ; 0.0703 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.54
Solubility :	0.396 mg/ml ; 0.00288 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	1.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 80936-82-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P273	UN#:	N/A
Hazard Statements:	H302-H412	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 80936-82-9 ]

* 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 [ 80936-82-9 ]
Downstream synthetic route of [ 80936-82-9 ]

[ 80936-82-9 ] Synthesis Path-Upstream 1~9

1
[ 1515-83-9 ]
[ 80936-82-9 ]

Yield	Reaction Conditions	Operation in experiment
98%	With hydrogen In methanol at 20℃; for 1.5 h;	General procedure: A mixture of 2a (243mg, 1mmol) and 1percent Pd/Ni bimetallic catalyst (73mg, 30wtpercent) in MeOH (10mL) was stirred under H₂ at room temperature and atmospheric pressure (on an atmospheric pressure hydrogenation apparatus) until the absorption of hydrogen ceased (90 min). After the catalyst was removed off by a magnetic stirring bar, the solution was evaporated on a rotavapor to give the product 1a as yellowish oil (210mg, 98percent), which is pure enough for ¹H and ¹³C NMR determinations. IR (KBr) v 3372, 1623, 1519, 1233cm⁻¹; ¹H NMR (CDCl₃, 400MHz) δ 7.26–7.20 (m, 2H), 7.06 (d, 2H, J=11.0Hz), 6.87 (d, 2H, J=11.0Hz), 6.69 (d, 2H, J=11.0Hz), 4.90 (s, 2H), 3.69 (s, 2H), 2.28 (s, 3H); ¹³C NMR (CDCl₃, 100MHz) δ 156.8, 146.3, 129.7 (2C), 126.8, 115.0 (2C), 114.6 (2C), 70.1, 20.4. HRMS (ESI-TOF) (m/z): calcd for C₁₄H₁₅NO, [M+Na]⁺: 236.1046, found: 236.1044.

Reference： [1] Tetrahedron, 2015, vol. 71, # 49, p. 9240 - 9244
[2] Synlett, 1998, # 9, p. 1028 - 1028
[3] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 9, p. 955 - 977
[4] Chemistry - A European Journal, 2007, vol. 13, # 4, p. 1291 - 1299
[5] Journal of the Chemical Society, 1954, p. 4127,4132
[6] Gazzetta Chimica Italiana, 1905, vol. 35 I, p. 111
[7] Journal of Agricultural and Food Chemistry, 1995, vol. 43, # 10, p. 2627 - 2635

2
[ 1515-88-4 ]
[ 80936-82-9 ]

Yield	Reaction Conditions	Operation in experiment
85%	With ammonium hydroxide; copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide; acetylacetone at 100℃; for 5 h; Sealed tube	5.3a (1.9 g, 9.45 mmoi, 1.0equiv), CuI (0.180 g, 0.94 mmoi, 0.1 equiv), acetyi acetone (0.95 g, 9.45 mmoi, 1.0 equiv) and C52CO3 (6.15 g, 18.9 mmoi, 2.0 equiv) were suspended in N,N-dimethyiformamide (28mL) in sealed tube and ammonium hydroxide (2.18 mL, 5.67 mmol, 6.0 equiv) was added and the reaction mixture was stirred at 100 °C for 5 hours. The reaction mixture was quenched with water and extracted with EtOAc. The organic layer was washed with brine, dried over sodium sulfate and concentrated to afford a residue. The residue was purified by silica gel column chromatography (0.7 percent MeOH in dichloromethane) to afford product 5.3b (1.1 g, 85 percent yield). LCMS (mlz): 138.2 [M+H]. 1H NMR (400 MHz, DMSO) 6 6.96 (d, J = 8.1 Hz, 2H), 6.52 (d, J 8.1 Hz, 2H), 5.06 (s, 2H), 4.18 (s, 2H), 3.19 (s, 3H).

Reference： [1] Patent: WO2015/66413, 2015, A1, . Location in patent: Page/Page column 159; 160

3
[ 64-17-5 ]
[ 1515-83-9 ]
[ 80936-82-9 ]

Reference： [1] Patent: US2003/153570, 2003, A1,

4
[ 100-17-4 ]
[ 80936-82-9 ]

Reference： [1] European Journal of Organic Chemistry, 2017, vol. 2017, # 27, p. 4044 - 4053

5
[ 619-73-8 ]
[ 80936-82-9 ]

Reference： [1] Chemistry - A European Journal, 2007, vol. 13, # 4, p. 1291 - 1299
[2] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 9, p. 955 - 977

6
[ 873-75-6 ]
[ 80936-82-9 ]

Reference： [1] Patent: WO2015/66413, 2015, A1,

7
[ 67-56-1 ]
[ 106-49-0 ]
[ 80936-82-9 ]

Reference： [1] Russian Journal of Organic Chemistry, 1995, vol. 31, # 8, p. 1077 - 1083[2] Zhurnal Organicheskoi Khimii, 1995, vol. 31, # 8, p. 1184 - 1190

8
[ 100-14-1 ]
[ 80936-82-9 ]

Reference： [1] Gazzetta Chimica Italiana, 1905, vol. 35 I, p. 111

9
[ 124-41-4 ]
[ 17112-11-7 ]
[ 80936-82-9 ]
[ 85423-09-2 ]

Reference： [1] Doklady Chemistry, 1985, vol. 281, p. 118 - 121[2] Dokl. Akad. Nauk SSSR Ser. Khim., 1985, vol. 281, # 5, p. 1122 - 1126

[ 80936-82-9 ] Synthesis Path-Downstream 1~61

1
[ 1515-83-9 ]
[ 80936-82-9 ]

Yield	Reaction Conditions	Operation in experiment
98%	With hydrogen; In methanol; at 20℃; under 760.051 Torr; for 1.5h;	General procedure: A mixture of 2a (243mg, 1mmol) and 1% Pd/Ni bimetallic catalyst (73mg, 30wt%) in MeOH (10mL) was stirred under H2 at room temperature and atmospheric pressure (on an atmospheric pressure hydrogenation apparatus) until the absorption of hydrogen ceased (90 min). After the catalyst was removed off by a magnetic stirring bar, the solution was evaporated on a rotavapor to give the product 1a as yellowish oil (210mg, 98%), which is pure enough for 1H and 13C NMR determinations. IR (KBr) v 3372, 1623, 1519, 1233cm-1; 1H NMR (CDCl3, 400MHz) delta 7.26-7.20 (m, 2H), 7.06 (d, 2H, J=11.0Hz), 6.87 (d, 2H, J=11.0Hz), 6.69 (d, 2H, J=11.0Hz), 4.90 (s, 2H), 3.69 (s, 2H), 2.28 (s, 3H); 13C NMR (CDCl3, 100MHz) delta 156.8, 146.3, 129.7 (2C), 126.8, 115.0 (2C), 114.6 (2C), 70.1, 20.4. HRMS (ESI-TOF) (m/z): calcd for C14H15NO, [M+Na]+: 236.1046, found: 236.1044.

Reference： [1]Tetrahedron,2015,vol. 71,p. 9240 - 9244
[2]Synlett,1998,p. 1028 - 1028
[3]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 955 - 977
[4]Chemistry - A European Journal,2007,vol. 13,p. 1291 - 1299
[5]Journal of the Chemical Society,1954,p. 4127,4132
[6]Gazzetta Chimica Italiana,1905,vol. 35 I,p. 111
[7]Journal of Agricultural and Food Chemistry,1995,vol. 43,p. 2627 - 2635

2
[ 80936-82-9 ]
[ 920-39-8 ]
[ 30090-17-6 ]

Reference： [1]Journal of the Chemical Society,1954,p. 4127,4132

3
[ 80936-82-9 ]
phenylmagnesium bromide [ No CAS ]
[ 1135-12-2 ]

Reference： [1]Journal of the Chemical Society,1954,p. 4127,4132

4
[ 80936-82-9 ]
[ 98-88-4 ]
[ 80936-64-7 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603
[2]Gazzetta Chimica Italiana,1905,vol. 35 I,p. 111

5
[ 690244-29-2 ]
[ 80936-82-9 ]
[ 34895-14-2 ]

Reference： [1]Australian Journal of Chemistry,1971,vol. 24,p. 1845 - 1852

6
[ 402-36-8 ]
[ 80936-82-9 ]
[ 80943-02-8 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

7
[ 80936-82-9 ]
[ 21975-94-0 ]
[ 80936-70-5 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

8
[ 124-41-4 ]
[ 17112-11-7 ]
[ 80936-82-9 ]
[ 85423-09-2 ]

Reference： [1]Doklady Chemistry,1985,vol. 281,p. 118 - 121
Dokl. Akad. Nauk SSSR Ser. Khim.,1985,vol. 281,p. 1122 - 1126

9
[ 80936-82-9 ]
[ 454-93-3 ]
[ 80936-67-0 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

10
[ 80936-82-9 ]
[ 402-55-1 ]
[ 80936-66-9 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

11
[ 67-56-1 ]
[ 106-49-0 ]
[ 80936-82-9 ]

Reference： [1]Russian Journal of Organic Chemistry,1995,vol. 31,p. 1077 - 1083
Zhurnal Organicheskoi Khimii,1995,vol. 31,p. 1184 - 1190

13
[ 80936-82-9 ]
[ 156028-26-1 ]
[ 929908-22-5 ]

Reference： [1]Chemistry - A European Journal,2007,vol. 13,p. 1291 - 1299

14
[ 619-73-8 ]
[ 80936-82-9 ]

Reference： [1]Chemistry - A European Journal,2007,vol. 13,p. 1291 - 1299
[2]Journal of the Chemical Society. Perkin Transactions 1 (2001),2001,p. 955 - 977

15
[ 619-73-8 ]
4-nitro-benzyl acetate [ No CAS ]
[ 80936-82-9 ]

Reference： [1]Journal of Agricultural and Food Chemistry,1995,vol. 43,p. 2627 - 2635

16
[ 80936-82-9 ]
[ 80939-23-7 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

17
[ 80936-82-9 ]
[ 80936-75-0 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

18
[ 80936-82-9 ]
[ 80936-74-9 ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

19
[ 80936-82-9 ]
N-{4-[5-(4-Ethoxy-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-phenyl}-benzamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

20
[ 80936-82-9 ]
4-{4-[5-(4-Ethoxy-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-ylmethyl]-phenylcarbamoyl}-benzenesulfonyl fluoride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 600 - 603

21
[ 100-14-1 ]
[ 80936-82-9 ]

Reference： [1]Gazzetta Chimica Italiana,1905,vol. 35 I,p. 111

22
[ 80936-82-9 ]
[ 33239-13-3 ]

Reference： [1]Australian Journal of Chemistry,1971,vol. 24,p. 1845 - 1852

23
[ 64-17-5 ]
[ 1515-83-9 ]
[ 80936-82-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With hydrogen;palladium;	A mixture of 1-methoxymethyl-4-nitro-benzene (1.0 g, 0.6 mmol), ethyl alcohol (20 ml), and 10% palladium on carbon (100 mg) was treated with hydrogen gas (40 psi) on a Parr shaker for 4 hours. The mixture was filtered through a pad of celite under suction. The filtrate was concentrated under reduced pressure to yield 4-methoxy-methyl-phenylamine (750 mg, 91% yield).

Reference： [1]Patent: US2003/153570,2003,A1

24
[ 521064-21-1 ]
[ 80936-82-9 ]
[ 521065-20-3 ]

Yield	Reaction Conditions	Operation in experiment
13%		The reaction of 2,4-dichloro-6-(5-chloro-2-methyl-phenyl)-[1,3,5]triazine and 4-methoxymethylphenylamine using the method described in Example 37 provided the title compound (45 mg, 13% yield). 1H NMR (DMSO-d6) 9.60 (br s, 1H), 7.77 (m, 1H), 7.44 (s, 2H), 7.40-7.43 (m, 2H), 7.32 (m, 1 H), 7.21-7.23 (m, 4H), 4.34 (s, 2H), 3.26 (s, 3H), 2.52 (s, 3H).

Reference： [1]Patent: US2003/153570,2003,A1

25
[ 50-00-0 ]
[ 7677-24-9 ]
[ 80936-82-9 ]
[ 1579251-40-3 ]

Yield	Reaction Conditions	Operation in experiment
6%	With copper(II) bis(trifluoromethanesulfonate); copper(l) chloride; In water; acetonitrile; at 20℃; for 0.166667h;Inert atmosphere;	General procedure: To a CH3CN solution (0.6 mL) in a screw-capped vial under a N2 atmosphere, an aliphatic amine(0.60 mmol), a formaldehyde aqueous solution (0.135 mL, 1.80 mmol), trimethylsilyl cyanide(0.225 mL, 1.80 mmol), Cu(OTf)2 (10.8 mg, 0.0300 mmol) and CuCl (3.0 mg, 0.030 mmol) was successively added, and the vial was sealed with a cap containing a PTFE septum. The reactionmixture was stirred at room temperature. After the reaction, the mixture was directly subjected to SiO2 gel without the usual extraction, and was purified by flash column chromatography (hexane-AcOEt) togive the corresponding N,N-bis(cyanomethyl)amines.

Reference： [1]Molecules,2013,vol. 18,p. 12488 - 12499

26
[ 873-75-6 ]
[ 80936-82-9 ]

Reference： [1]Patent: WO2015/66413,2015,A1

27
[ 1515-88-4 ]
[ 80936-82-9 ]

Yield	Reaction Conditions	Operation in experiment
85%	With ammonium hydroxide; copper(l) iodide; caesium carbonate; In N,N-dimethyl-formamide; acetylacetone; at 100℃; for 5h;Sealed tube;	5.3a (1.9 g, 9.45 mmoi, 1.0equiv), CuI (0.180 g, 0.94 mmoi, 0.1 equiv), acetyi acetone (0.95 g, 9.45 mmoi, 1.0 equiv) and C52CO3 (6.15 g, 18.9 mmoi, 2.0 equiv) were suspended in N,N-dimethyiformamide (28mL) in sealed tube and ammonium hydroxide (2.18 mL, 5.67 mmol, 6.0 equiv) was added and the reaction mixture was stirred at 100 C for 5 hours. The reaction mixture was quenched with water and extracted with EtOAc. The organic layer was washed with brine, dried over sodium sulfate and concentrated to afford a residue. The residue was purified by silica gel column chromatography (0.7 % MeOH in dichloromethane) to afford product 5.3b (1.1 g, 85 % yield). LCMS (mlz): 138.2 [M+H]. 1H NMR (400 MHz, DMSO) 6 6.96 (d, J = 8.1 Hz, 2H), 6.52 (d, J 8.1 Hz, 2H), 5.06 (s, 2H), 4.18 (s, 2H), 3.19 (s, 3H).

Reference： [1]Patent: WO2015/66413,2015,A1 .Location in patent: Page/Page column 159; 160

28
[ 80936-82-9 ]
(R)-N-hydroxy-3-((S)-3-(4-(methoxymethyl)phenyl)-2-oxooxazolidin-5-yl)-2-methyl-2-(methylsulfonyl)propanamide [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

29
[ 80936-82-9 ]
(R)-5-(hydroxymethyl)-3-(4-(methoxymethyl)phenyl)oxazolidin-2-one [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

30
[ 80936-82-9 ]
(R)-5-(iodomethyl)-3-(4-(methoxymethyl)phenyl)oxazolidin-2-one [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

31
[ 80936-82-9 ]
ethyl 3-((S)-3-(4-(methoxymethyl)phenyl)-2-oxooxazolidin-5-yl)-2-methyl-2-(methylsulfonyl)propanoate [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

32
[ 80936-82-9 ]
3-((S)-3-(4-(methoxymethyl)phenyl)-2-oxooxazolidin-5-yl)-2-methyl-2-(methylsulfonyl)propanoic acid [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

33
[ 80936-82-9 ]
3-((S)-3-(4-(methoxymethyl)phenyl)-2-oxooxazolidin-5-yl)-2-methyl-2-(methylsulfonyl)-N-((tetrahydro-2H-pyran-2-yl)oxy)propanamide [ No CAS ]

Reference： [1]Patent: WO2015/66413,2015,A1

34
[ 80936-82-9 ]
[ 501-53-1 ]
benzyl (4-(methoxymethyl)phenyl)carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
72%	With sodium hydrogencarbonate; In water; acetone; at 0 - 20℃; for 7h;	5.3b (1.1 g, 8.02 mmol, 1.0 equiv) was dissolved in acetone: water (2:1, 9 mL) and cooled toO C. NaHCO3 (1.42 g, 16.86 mmol, 2.1 equiv) and CBZ-Cl (1.78 g, 10.44 mmol, 1.3 equiv) were added and the reaction mixture was stirred at room temperature for 7 hours. The reaction mixture was quenched with water and extracted with EtOAc. The organic layer was washed with brine, dried over sodium sulfate and concentrated to afford a residue. The residue was purified by silica gel column chromatography (2-5 % EtOAc in Hexane) to afford product 5.3c (1.56 g, 72 % yield). 1H NMR (400 MHz, DMSO) 6 9.80 (s, 1H), 7.49-7.38 (m, 6H), 7.23 (t, J= 6.5 Hz, 2H), 5.15 (s, 2H), 4.32 (s, 2H), 3.25 (s, 3H).

Reference： [1]Patent: WO2015/66413,2015,A1 .Location in patent: Page/Page column 159; 160

35
[ 80936-82-9 ]
1-(4-(methoxymethyl)phenyl)-2-phenylhydrazine [ No CAS ]

Reference： [1]Tetrahedron,2016,vol. 72,p. 3151 - 3161

36
[ 80936-82-9 ]
[ 92-87-5 ]

Reference： [1]Tetrahedron,2016,vol. 72,p. 3151 - 3161

37
[ 80936-82-9 ]
[ 586-96-9 ]
1-(4-(methoxymethyl)phenyl)-2-phenyldiazene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	With acetic acid; at 20℃;Cooling;	General procedure: To the solution of the relevant 4-alkyl aniline derivative in glacial acetic acid (0.05 - 0.1 mol/L) is slowly added an equimolar amount of the respective nitrosobenzene at 20C under water cooling. The reaction mixture is then stirred at room temperature until full conversion of the starting materials. Depending on the substitution pattern of the aniline derivative the coupling reaction takes hours to days until completion. The acetic acid is subsequently removed under reduced pressure. The residual crude product is adsorbed on silica gel and purified by column chromatography (usual solvent mixtures consist of 0.5 - 5 vol% diethyl ether in petrol ether). Solid diazenes are recrystallized afterwards.

Reference： [1]Tetrahedron,2016,vol. 72,p. 3151 - 3161

38
[ 841222-62-6 ]
[ 80936-82-9 ]
N-[4-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 1693 - 1715

39
[ 100-17-4 ]
[ 80936-82-9 ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4044 - 4053

40
[ 80936-82-9 ]
2-iodo-4-(methoxymethyl)aniline [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4044 - 4053

41
[ 80936-82-9 ]
N-[2-iodo-4-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2017,vol. 2017,p. 4044 - 4053

42
[ 80936-82-9 ]
methyl 4-amino-1-(4,4-difluorocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylate [ No CAS ]
4-amino-1-(4,4-difluorocyclohexyl)-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
29 mg		Example 82 Synthesis of 4-amino-1-(4,4-difluorocyclohexyl)-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide 33 mg of methyl-4-amino-1-(4,4-difluorocyclohexyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylate obtained in step 2 of Reference Example 10 was dissolved in 2 mL of methanol. 0.05 mL of a 5M aqueous sodium hydroxide solution was added thereto at room temperature, and the mixture was stirred at 60 C. for 1 hour. After cooling, 0.2 mL of a 5M aqueous hydrochloric acid solution was added, and the mixture was concentrated under reduced pressure. The obtained solid was suspended in 2 mL of DMF, and 17 mg of 4-(methoxymethyl)aniline, 60 mg of HATU, and 0.055 mL of N,N-diisopropylethylamine were added thereto at room temperature, followed by stirring at the same temperature for 1 hour. The reaction solution was diluted with ethyl acetate, and washed with water and a saturated aqueous sodium chloride solution. The obtained organic layer was dried over anhydrous sodium sulfate, filtered, and concentrated. The obtained residue was suspended in methanol, and filtered, followed by drying at 60 C. under reduced pressure, thereby obtaining 29 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1495

43
[ 80936-82-9 ]
1-(adamantan-2-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid [ No CAS ]
1-(adamantan-2-yl)-4-amino-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
26 mg	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 18h;	Example 19 Synthesis of 1-(adamantan-2-yl)-4-amino-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide 38 mg of 1-(adamantan-2-yl)-4-amino-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid obtained in step 2 of Reference Example 2, 20 mg of 4-(methoxymethyl)aniline, and 55 mg of HATU were dissolved in 1 mL of DMF, and 62 muL of diisopropylethylamine was added thereto. The mixture was stirred at room temperature for 18 hours, and water was added to the reaction solution, followed by extraction with ethyl acetate. The organic layer was washed with water, and dried over anhydrous magnesium sulfate, followed by concentration of the organic solution under reduced pressure. The residue was purified by silica gel chromatography (chloroform->chloroform/methanol=10/1), thereby obtaining 26 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1388

44
[ 1151649-97-6 ]
[ 80936-82-9 ]
4-amino-1-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65 mg	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 1h;	Example 22 Synthesis of 4-amino-1-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide 121 mg of HATU was added to a solution of 50 mg of 4-amino-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid obtained in step 2 of Reference Example 3, 34 mg of 4-(methoxymethyl)aniline, and 0.11 mL of N,N-diisopropylethylamine in 1 mL of DMF at room temperature. After stirring at room temperature for 1 hour, the mixture was diluted with ethyl acetate, and washed with water, followed by subsequent washing with a saturated aqueous sodium chloride solution. The obtained organic layer was dried over anhydrous sodium sulfate, followed by filtration and concentration. The obtained precipitate was suspended and washed with methanol, filtered, and dried under reduced pressure, thereby obtaining 65 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1393

45
[ 80936-82-9 ]
4-amino-7-isopropyl-7H-pyrrolo[2, 3-d]pyrimidine-5-carboxylic acid [ No CAS ]
4-amino-7-isopropyl-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
76 mg	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 5h;	Example 24 Synthesis of 4-amino-7-isopropyl-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide 67 mg of 4-amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid obtained in step 3 of Reference Example 4, 50 mg of 4-(methoxymethyl)aniline, and 138 mg of HATU were dissolved in 1 mL of DMF, and 158 muL of diisopropylethylamine was added thereto. After stirring at room temperature for 5 hours, water was added to the reaction solution, followed by extraction with chloroform. The organic layer was washed with water, and dried over anhydrous magnesium sulfate. The organic solution was concentrated under reduced pressure. The residue was purified by silica gel chromatography (chloroform->chloroform/methanol=10/1), thereby obtaining 76 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1395

46
[ 80936-82-9 ]
4-amino-7-(tert-butyl)-7H-pyrrolo[2, 3-d]pyrimidine-5-carboxylic acid [ No CAS ]
4-amino-7-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.12 g	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃;	Example 2 4-amino-7-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide 2.43 g of HATU was added to a solution of 1.00 g of 4-amino-7-(tert-butyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid obtained in step 5 of Reference Example 5, 878 mg of 4-(methoxymethyl)aniline, and 2.23 mL of N,N-diisopropylethylamine in 20 mL of DMF at room temperature. The mixture was stirred at room temperature overnight, and an aqueous sodium hydroxide solution was added thereto, followed by extraction with chloroform. The obtained organic layer was dried over anhydrous sodium sulfate, filtered, concentrated, and purified by silica gel chromatography. After concentration, the obtained precipitate was suspended and washed with methanol, followed by filtration and drying under reduced pressure, thereby obtaining 1.12 g of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1364

47
[ 80936-82-9 ]
[ 1694-92-4 ]
N-[4-(methoxymethyl)phenyl]-2-nitro-benzenesulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.89 g	With triethylamine; In chloroform;	Step 1: Synthesis of N-[4-(methoxymethyl)phenyl]-2-nitro-benzenesulfonamide 1.9 g of 2-nitrobenzenesulfonyl chloride was added to a solution of 1.0 g of 4-(methoxymethyl)aniline and 1.5 mL of triethylamine in 10 mL of chloroform, and the mixture was stirred overnight. After concentration, the residue was purified by silica gel chromatography (developing solvent: hexane-ethyl acetate), concentrated, and dried under reduced pressure, thereby obtaining 1.89 g of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1548

48
[ 80936-82-9 ]
4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid [ No CAS ]
4-amino-1-cyclopentyl-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
36 mg	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 18h;	Example 1 Synthesis of 4-amino-1-cyclopentyl-N-(4-(methoxymethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidine-3-carboxamide 30 mg of 4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid obtained in step 2 of Reference Example 1, 20 mg of 4-(methoxymethyl)aniline, and 55 mg of HATU were dissolved in 1 mL of DMF, and 62 muL of diisopropylethylamine was added thereto. After stirring at room temperature for 18 hours, water was added to the reaction solution, followed by extraction with ethyl acetate. The organic layer was washed with water and dried over anhydrous magnesium sulfate, followed by concentration of the organic solution under reduced pressure. The residue was purified by silica gel chromatography (chloroform->chloroform/methanol=10/1), thereby obtaining 36 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1363

49
[ 80936-82-9 ]
4-amino-7-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Reference： [1]Patent: US2018/9818,2018,A1

50
[ 80936-82-9 ]
4-(methoxymethyl)-N-methylaniline [ No CAS ]

Reference： [1]Patent: US2018/9818,2018,A1

51
[ 80936-82-9 ]
4-amino-6-bromo-7-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid [ No CAS ]
4-amino-6-bromo-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
6.7 mg	With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃;	Step 2: Synthesis of 4-amino-6-bromo-N-[4-(methoxymethyl)phenyl]-7-(1-methylcyclopropyl)7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide 10.1 mg of 4-amino-6-bromo-7-(1-methylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid obtained in step 1 was dissolved in 1 mL of DMF, and 5.3 mg of 4-(methoxymethyl)aniline, 17 muL of DIPEA, and 18.5 mg of HATU were added thereto, followed by stirring at room temperature overnight. The reaction solution was partitioned between ethyl acetate and water, and the organic layer was washed with a 1N NaOH aqueous solution, water, and a saturated aqueous sodium chloride solution, followed by drying over anhydrous sodium sulfate. After filtration, the filtrate was concentrated. The residue was purified by silica gel column (ethyl acetate/methanol=1/0->8/1), thereby obtaining 6.7 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1444

52
[ 80936-82-9 ]
[ 1694-92-4 ]
N-[4-(methoxymethyl)phenyl]-N-methyl-2-nitro-benzenesulfonamide [ No CAS ]

Reference： [1]Patent: US2018/9818,2018,A1

53
[ 201230-82-2 ]
[ 80936-82-9 ]
7-(tert-butyl)-5-iodo-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ No CAS ]
7-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
52 mg	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl acetamide; at 110℃; for 2h;	Step 2: Synthesis of 7-(tert-butyl)-N-(4-(methoxymethyl)phenyl)-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide 7-(tert-butyl)-5-iodo-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine obtained in step 1, 103 mg of 4-(methoxymethyl)aniline, 90 mul of 1,8-diazabicyclo[5.4.0]undec-7-ene, and 24 mg of 1,1'-bis(diphenylphosphino) ferrocene-palladium (II) dichloride-dichloromethane complex were added to 1 mL of DMA, and the mixture was stirred in a carbon monoxide atmosphere at 110 C. for 2 hours. The obtained reaction solution was purified by silica gel chromatography (developing solvent: hexane-ethyl acetate), concentrated, and purified again by basic silica gel chromatography, followed by concentration, thereby obtaining 52 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1553

54
[ 201230-82-2 ]
[ 80936-82-9 ]
7-(1-(fluoromethyl)cyclopropyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine [ No CAS ]
4-amino-7-(1-(fluoromethyl)cyclopropyl)-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
86 mg	With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1-methyl-pyrrolidin-2-one; at 100℃; for 4h;	Example 45 Synthesis of 4-amino-7-(1-(fluoromethyl)cyclopropyl)-N-(4-(methoxymethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide A solution of 100 mg of 7-(1-(fluoromethyl)cyclopropyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine obtained in step 3 of Reference Example 6, 100 mg of 4-(methoxymethyl)aniline, 90 muL of 1,8-diazabicyclo[5.4.0]undec-7-ene, and 20 mg of 1,1'-bis(diphenylphosphino) ferrocene-palladium(II) dichloride-dichloromethane complex in 3 mL of NMP was stirred in a carbon monoxide atmosphere at 100 C. for 4 hours. The reaction solution was concentrated and purified by silica gel chromatography (hexane-ethyl acetate-methanol), thereby obtaining 86 mg of the title compound.

Reference： [1]Patent: US2018/9818,2018,A1 .Location in patent: Paragraph 1424

55
[ 80936-82-9 ]
6-chloro-1H-indole-3-sulfonyl chloride [ No CAS ]
6-chloro-N-(4-(methoxymethyl)phenyl)-1H-indole-3-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57%	With pyridine; at 80℃; for 16h;	General procedure: To a solution of 1H-pyrrolo[3,2-H]quinoline-3-sulfonyl chloride (140 mg, 0.52 mmol) in pyridine (1.5 mL) was added 4-chloro-2,5-difluoroaniline (90 mg, 0.55 mmol). The reaction mixture was stirred at room temperature for 4h and then evaporated to dryness. The residue was triturated in a mixture of water/acetonitrile (8/2) and sonicated. The solid suspension was filtered, rinsed with water, dried under vacuum at 35C, to afford 105 mgof N-(4-chloro-2,5-difluorophenyl)-1 H-pyrrolo[3,2-h]quinoline-3-sulfonamide 1-118, as a beige solid.Yield: 50%.Basic LCMS Method 1 (ES): 394 (M+H), 99 % purity.1H NMR (400 MHz, DMSO-d6) 6 13.26 (s, 1H), 10.51 (s, 1H), 8.93 (dd, J = 4.4, 1.6 Hz,1 H), 8.46 (dd, J = 8.3, 1.6 Hz, 1 H), 8.04 - 7.65 (m, 3H), 7.59 (m, 1 H), 7.51 (dd, J = 9.8,6.8 Hz, 1H), 7.40 (dd, J = 10.4, 7.0 Hz, 1H).

Reference： [1]Patent: WO2018/122232,2018,A1 .Location in patent: Page/Page column 313; 314

56
[ 80936-82-9 ]
[ 6160-65-2 ]
C₉H₉NOS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine In water; dimethyl sulfoxide; acetonitrile at 20℃; for 5h;

Reference： [1]Fan, Jing; Feng, Jing; Franklin, G. Joseph; Lancia, David R.; Li, Jin; Liu, Guansai; O'connell, Jonathan; Peng, Ting; Su, Liqiang; Wan, Jinqiao [Organic Letters, 2020]

57
[ 80936-82-9 ]
(2R)-2-amino-N-[4-(methoxymethyl)phenyl]butanediamide hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine / ethyl acetate / 12.25 h / 0 - 25 °C 2: hydrogenchloride / 1,4-dioxane / 1 h / 25 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: FLAGSHIP PIONEERING INC - WO2020/37009, 2020, A1

58
[ 80936-82-9 ]
(R)-N₁-(4-(methoxymethyl)phenyl)-2-tetradecanamidosuccinamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine / ethyl acetate / 12.25 h / 0 - 25 °C 2: hydrogenchloride / 1,4-dioxane / 1 h / 25 °C / Inert atmosphere 3: triethylamine / dichloromethane / 12 h / 0 - 25 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: FLAGSHIP PIONEERING INC - WO2020/37009, 2020, A1

59
[ 80936-82-9 ]
(R)-N₁-(4-(methoxymethyl)phenyl)-2-octanamidosuccinamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine / ethyl acetate / 12.25 h / 0 - 25 °C 2: hydrogenchloride / 1,4-dioxane / 1 h / 25 °C / Inert atmosphere 3: triethylamine / dichloromethane / 12 h / 25 °C / Inert atmosphere

Reference： [1]Current Patent Assignee: FLAGSHIP PIONEERING INC - WO2020/37009, 2020, A1

60
[ 80936-82-9 ]
N-t-butyloxycarbonyl-D-asparagine [ No CAS ]
tert-butyl N-[(1R)-3-amino-1-[[4-(methoxymethyl)phenyl]carbamoyl]-3-oxo-propyl]carbamate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
6.3%	With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate at 0 - 25℃; for 12.25h;	22.1 Step 1 A mixture of (2R)-4-amino-2-(tert-butoxycarbonylamino)-4-oxo-butanoic acid (1 .02 g, 4.37 mmol, 1 .2 equiv.), 4-(methoxymethyl)aniline (500 mg, 3.64 mmol, 1 equiv.) in EtOAc (5 ml_) was cooled to 0 °C. Propanephosphonic acid anhydride (1 .74 g, 5.47 mmol, 1 .63 mL, 1 .5 equiv.) and DIPEA (942 mg, 7.29 mmol, 1 .27 mL, 2 equiv.) was added to the mixture. The reaction mixture was stirred at 0 °C for 1 5 min and at 25 °C for 12 hr. The residue was purified by prep-HPLC (column: Phenomenex luna C18 25050mm10 urn ; mobile phase: [water(0.1 %TFA)-ACN];B%: 10%-40%,20min). The residue was purified by prep-TLC (S O , petroleum ether: ethyl acetate = 0:1 ) to give tert-butyl N-[(1 R)-3-amino-1 -[[4- (methoxymethyl)phenyl] carbamoyl]-3-oxo-propyl]carbamate (80 mg, 6.3%) as a white solid.

Reference： [1]Current Patent Assignee: FLAGSHIP PIONEERING INC - WO2020/37009, 2020, A1 Location in patent: Page/Page column 83; 84

61
[ 80936-82-9 ]
[ 78225-74-8 ]
C₁₆H₁₅FN₂O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	Stage #1: 4-methoxymethyl-phenylamine; 4-fluorobenzoyl isothiocyanate In acetone at 60℃; Stage #2: With hydrogenchloride In water; acetone	General procedure: Compounds 1-15 were synthesized by the procedure described by Binzet and co-workers [24]. Substituted benzoyl chloride (1 mmol) was dissolved, followed by addition of 10 mL, i.e. 1 mmol solution of potassium thiocynate in dry acetone and allowed to reflux for 20 min. After 20 min, mixture was cooled to room temperature, and 6 mL solution of 1 mmol primary amine, prepared in dry acetone, was added into it with continuous stirring. After 2 h, 5 mL of 0.2 N HCl was added to obtained solid product which was washed with hexane and ethylacetate (9:1) and recrystallized from 2:1 mixture of dichloromethane: methanol. All the derivatives were obtained in amorphous state, except compounds 5, and 6, which were obtained in crystalline state. In EI-MS allsynthesized thiourea derivatives showed the molecular ion peak (M+) except compound 3, that yielded molecular ion peak via soft technique ESI-MS. FT-IR spectra were taken within the range of 4000-400 cm-1 by using KBr pellets. The 1H NMR data for all compounds was recorded in DMSO-d6 at 400 MHz. 13C NMR experiments were conducted in DMSO-d6 for compounds 13, and 14 at 100 MHz instrument. UV absorption studies were carried out between 250 and 400 nm.

Reference： [1]Akhter, Sidra; Ullah, Saeed; Yousuf, Sammer; Atia-tul-Wahab; Siddiqui, Hina; Choudhary, M. Iqbal [Bioorganic Chemistry, 2021, vol. 107]

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Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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P103	Read label before use
Prevention
Code	Phrase
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P222	Do not allow contact with air.
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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

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
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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. 80936-82-9 ] {[proInfo.proName]}

Quality Control of [ 80936-82-9 ]

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Lipophilicity

Druglikeness

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Medicinal Chemistry

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Application In Synthesis of [ 80936-82-9 ]

[ 80936-82-9 ] Synthesis Path-Upstream 1~9

[ 80936-82-9 ] Synthesis Path-Downstream 1~61

Related Functional Groups of [ 80936-82-9 ]

Aryls

Ethers

Amines

Precautionary Statements-General

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Disposal

Physical hazards

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[ 80936-82-9 ]