[ CAS No. 919278-39-0 ] {[proInfo.proName]}

Name: 919278-39-0|1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine|95%
Brand: Ambeed
SKU: A409037
Price: 28.0 USD
Availability: InStock
Rating: 99 (35 reviews)

,{[proInfo.pro_purity]}

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

DV 2D 3D

3d Animation Molecule Structure of 919278-39-0

Structure of 919278-39-0 * 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 [ 919278-39-0 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 919278-39-0 ]

SDS Specification

Alternatived Products of [ 919278-39-0 ]

Product Details of [ 919278-39-0 ]

CAS No. :	919278-39-0	MDL No. :	MFCD03420215
Formula :	C₅H₆F₃N₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FDXLDVHECBHMRI-UHFFFAOYSA-N
M.W :	165.12	Pubchem ID :	7015918
Synonyms :

Calculated chemistry of [ 919278-39-0 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.4
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	32.89
TPSA :	43.84 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) :	-6.88 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.86
Log Po/w (XLOGP3) :	0.6
Log Po/w (WLOGP) :	2.3
Log Po/w (MLOGP) :	0.29
Log Po/w (SILICOS-IT) :	0.58
Consensus Log Po/w :	0.93

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.45
Solubility :	5.91 mg/ml ; 0.0358 mol/l
Class :	Very soluble
Log S (Ali) :	-1.09
Solubility :	13.3 mg/ml ; 0.0805 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.33
Solubility :	7.65 mg/ml ; 0.0463 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.64

Safety of [ 919278-39-0 ]

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 [ 919278-39-0 ]

* 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.

Downstream synthetic route of [ 919278-39-0 ]

[ 919278-39-0 ] Synthesis Path-Downstream 1~88

1
[ 919278-38-9 ]
[ 919278-39-0 ]

Yield	Reaction Conditions	Operation in experiment
100%	With palladium 10% on activated carbon; hydrogen; In methanol; at 20℃; for 3h;	To a solution of 4-nitro- 1 -(2,2,2- trifluoroethyl)pyrazole (2.0 g, 10.25 mmol) in MeOH (30 ml) was added 10 % Pd/C (200 mg) under N2. The suspension was degassed under vacuum and purged with H2 several times. The mixture was stirred under H2 atmosphere at rt for 3 h. The reaction mixture was filtered. The filtrate was concentrated under reduced pressure to give the title compound as red brown oil (Y = 100 %). lH NMR (400 MHz, chloroform-i/) d ppm 7.21 (s, 1H), 7.07 (s, 1H), 4.59 - 4.50 (m, (1212) 2H), 3.41 (s, 2H).
99.24%	With hydrogen;palladium 10% on activated carbon; In ethanol; at 23℃; under 2585.81 Torr; for 0.666667h;	As shown in step 16-iii of Scheme 16, to a solution of Compound 2046 (40.4 g, 207.1 mmol) in EtOH (600 mL) in a Parr bottle was added palladium (10 g, 9.397 mmol) (Pd/C, 10 wt% dry basis, wet, Degussa type). The mixture was placed under 50 p.s.i. of hydrogen gas and shaken at 23C for 40 minutes . The reaction mixture was through a Corning 0.22 muiotaeta PES membrane and the filtrate was concentrated to give 1 -(2,2,2- trifluoroethyl)pyrazol-4-amine (Compound 2047, 33.94 g, 205.6 mmol, 99.24% yield) as a clear reddish oil: 1H NMR (CDC13, 300 MHz) delta 7.26 (s, 1H), 7.10 (s, 1H), 4.59 (q, J = 9 Hz, 2H), 2.95 (br s, 2H). ESMS (M+H) 165.97
95%	With palladium 10% on activated carbon; hydrogen; In ethanol; at 25℃; under 760.051 Torr; for 16h;	Under hydrogen (1 atm), to a solution of compound 69-b (1.5 g, 7.69 mmol) in ethanol (5 mL) was added 10% Pd-C (0.15 g). The mixture was stirred at 25 C. for 16 hours, and then filtrated, the filtrate was concentrated under reduced pressure to give red brown oil 69-a (1.2 g, yield: 95%), which was used directly for the next step without purification. LC-MS (ESI): m/z=166 [M+H]+.

89%	With hydrogen;palladium 10% on activated carbon; In methanol; at 20℃; for 3h;	To a solution of 4-nitro-l- (2, 2, 2-trifluoroethyl) pyrazole (1.85 g, 9.5 mmol) in methanol (20 mL) was added 10% palladium carbon (containing 50% water, 742 mg) , and the mixture was . stirred under a hydrogen atmosphere at room temperature for 3 EPO <DP n="139"/>hr. The catalyst was filtered off and the filtrate was concentrated under reduced pressure. The residue was purified by column chromatography (silica gel, hexane/ethyl acetate=70/30_»0/100) to give the title compound (1.40 g, 89%) as a pale-brown oil.1H-NMR (CDCl3, 300 MHz) delta 2.98 (2H, br s), 4.57 (2H, q, J = 8.4Hz), 7.09 (IH, s), 7.25 (IH, s) .
	With hydrogen;palladium 10% on activated carbon; In methanol; for 3h;	To a solution of 4-nitro- IH-pyrazole (300 mg, 2.7 mmol) in N.N-dimethylformamide (3 mL) was added l, l, l-trifluoro-2-iodoethane (1.13 g, 5.4 mmol) and cesium carbonate (1 g, 3.1 mmol) and the mixture was stirred at 60 C for 18 h. The reaction was partitioned between ether and 5% aqueous lithium chloride solution. The organic phase was dried (MgS04) filtered and evaporated to afford a crude residue which was purified by silica gel chromatography (dichloromethane) to give 4-nitro- 1- (2,2,2-trifluoroethyl)- m-pyrazole (198 mg) as a solid. 1Eta NMR (400 MHz, CDC13) delta 8.29 (s, 1H), 8.16 (s, 1H), 4.77 (q, 2H). To a solution of 4-nitro-l-(2,2,2-trifluoroethyl)-lH- pyrazole (190 mg, 0.97 mmol) in methanol (10 mL) was added 10% Pd/C (80 mg) and the mixture was stirred under hydrogen for 3 h. The reaction was filtered and the filtrate was evaporated to afford l-(2,2,2-trifluoroethyl)-lH-pyrazol-4-amine which was used directly without any further purification.
490 mg	With palladium 10% on activated carbon; hydrogen; In methanol; at 10 - 35℃; for 12h;	To a suspension of 4-nitro-lH-pyrazole (500 mg) and potassium carbonate (1.22 g) in DMF (5 mL) was added dropwise 2, 2, 2-trifluoroethyl trifluoromethanesulfonate (1.54 g) . The reaction mixture was stirred at room temperature for 4 hr, treated with water, and extracted with ethyl acetate. The extract was dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. A mixture of the residue obtained above and 10% palladium on carbon (1 g) in methanol (30 mL) was stirred under a hydrogen atmosphere at room temperature for 12 hr, filtered, and concentrated under reduced pressure. The residue was purified by preparative HPLC to give the title compound (490 mg) . 1 NMR (300 MHz, DMSO-d6) delta 3.97 (2H, brs) , 4.88 (2H, q, J = 9.1 Hz), 7.04 (1H, s) , 7.10 (1H, s) .
490 mg	With palladium on activated charcoal; hydrogen; In methanol; at 20℃; for 12h;	A) 1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine To a suspension of 4-nitro-1H-pyrazole (500 mg) and potassium carbonate (1.22 g) in DMF (5 mL) was added dropwise 2,2,2-trifluoroethyl trifluoromethanesulfonate (1.54 g). The reaction mixture was stirred at room temperature for 4 hr, water was added thereto, and the mixture was extracted with ethyl acetate. The extract was dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. A suspension of the obtained residue and palladium on carbon (1 g) in methanol (30 mL) was stirred at room temperature for 12 hr under a hydrogen atmosphere, filtered, and concentrated under reduced pressure. The residue was purified by preparative HPLC to give the title compound (490 mg). 1H NMR (300 MHz, DMSO-d6) delta 3.97 (2H, brs), 4.88 (2H, q, J=9.1 Hz), 7.04 (1H, s), 7.10 (1H, s)

Reference： [1]Patent: WO2019/121691,2019,A1 .Location in patent: Paragraph 0906
[2]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 74-75; 78
[3]Patent: US2015/336982,2015,A1 .Location in patent: Paragraph 0431; 0433
[4]Patent: WO2007/4749,2007,A1 .Location in patent: Page/Page column 137-138
[5]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 7150 - 7163
[6]Patent: WO2012/61337,2012,A1 .Location in patent: Page/Page column 48; 49
[7]Patent: WO2013/27845,2013,A1 .Location in patent: Paragraph 0412
[8]Patent: US2013/150344,2013,A1 .Location in patent: Paragraph 0618; 0619

2
[ 919278-39-0 ]
[ 919278-09-4 ]
[ 32315-10-9 ]
1-{2-chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]urea [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 7150 - 7163

3
[ 919278-39-0 ]
[ 887341-00-6 ]
(1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
[ 1258556-16-9 ]

Yield	Reaction Conditions	Operation in experiment
		Example 64 (1S,2S,3R,4R)-3-[2-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]amino}bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[919278-39-0]1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4-dichloro-5-(trifluoromethyl)pyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (501 MHz, DMSO-D6) ppm 1.28 (d, J=5.7 Hz, 2H) 1.41 (d, J=8.5 Hz, 1H) 2.05 (d, J=9.0 Hz, 1H) 2.53 (d, J=8.3 Hz, 1H) 2.84 (d, J=35.1 Hz, 2H) 4.20 (t, J=7.5 Hz, 1H) 4.88-5.07 (m, 2H) 6.23-6.35 (m, 2H) 7.74 (s, 1H) 7.88 (d, J=19.7 Hz, 2H) 8.11 (s, 1H) 9.28 (s, 1H); MS (ESI(+)) m/e 462 (M+1)+.

Reference： [1]Patent: US2010/317680,2010,A1

4
[ 919278-39-0 ]
[ 887341-00-6 ]
(1S,2S,3R,4R)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)bicyclo[2.2.1]hept-5-ene-2-carboxamide [ No CAS ]
[ 1258556-75-0 ]

Yield	Reaction Conditions	Operation in experiment
		Example 66 (1S,2S,3R,4R)-3-[(5-chloro-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide The title compound was prepared as described in Example 1, substituting <strong>[919278-39-0]1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine</strong> for 1-methyl-1H-pyrazol-4-amine in Example 1B along with substitution of (+)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide for (+/-)-(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxamide and 2,4,5-trichloropyrimidine for 2,4-dichloro-5-fluoropyrimidine in Example 1A. 1H NMR (300 MHz, DMSO-D6) ppm 1.41 (d, J=8.7 Hz, 1H) 2.10 (d, J=8.7 Hz, 1H) 2.82 (d, J=31.7 Hz, 2H) 4.11 (t, J=7.5 Hz, 1H) 5.06 (q, J=9.4 Hz, 2H) 6.13-6.44 (m, 2H) 7.26 (s, 1H) 7.55-7.95 (m, 6H) 9.20 (s, 1H); MS (ESI(+)) m/e 428 (M+1)+.

Reference： [1]Patent: US2010/317680,2010,A1

5
[ 919278-39-0 ]
[ 106-96-7 ]
[ 1315544-86-5 ]

Yield	Reaction Conditions	Operation in experiment
48%	With potassium carbonate; In N,N-dimethyl-formamide; at 20 - 25℃; for 18h;	As shown in step 21-i of Scheme 21, to a round-bottomed flask containing 1- (2,2,2-trifluoroethyl)pyrazol-4-amine (2.01 g, 12.2 mmol) and potassium carbonate (3.364 g, 24.34 mmol) under an atmosphere of nitrogen was added DMF (15 mL), followed by the addition of 3-bromoprop-l-yne (1.45 g, 1.09 mL, 12.2 mmol). The reaction mixture was stirred at RT for 18 hours. Water and EtOAc were added and the aqueous layer extracted with EtOAc. The combined organics were washed with brine, water, dried (sodium sulfate), filtered, and concentrated under reduced pressure. Purification by silica gel chromatography (petroleum ether :EtO Ac, 1 : 1) gave N-(prop-2-ynyl)-l-(2,2,2-trifluoroethyl)-lH-pyrazol-4- amine (Compound 2064, 1.19g, 48% yield) as an orange solid: 1H NMR (CDC13, 300 MHz) delta 7.32 (1H, s), 7.16 (1H, s), 4.62 (2H, q), 3.81 (2H, dd), 3.20 (1H, t), 2.27 (1H, t).

Reference： [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 86; 88
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

6
[ 22929-52-8 ]
[ 919278-39-0 ]
[ 7677-24-9 ]
[ 1315544-94-5 ]

Yield	Reaction Conditions	Operation in experiment
32.91%	In acetic acid; at 0 - 23℃;	As shown in step 24-i of Scheme 24, trimethylsilylcyanide (4.241 g, 5.700 mL, 42.75 mmol) was added to a solution of l-(2,2,2-trifluoroethyl)pyrazol-4-amine (7.059 g, 42.75 mmol) and <strong>[22929-52-8]tetrahydrofuran-3-one</strong> (3.68 g, 42.75 mmol) in AcOH (45 mL) at 0°C via syringe over 30 seconds. The reaction mixture was slowly warmed to 23°C. After stirring for 16 hours, the mixture was added to 1 :1 ammonium hydroxide:ice (200 mL) and extracted with DCM (2 x 200 mL). The organics were dried (magnesium sulfate) filtered and concentrated. The residue was purified by medium pressure silica gel chromatography (0-100percent EtOAc in hexanes to provide 3-[[l-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]tetrahydrofuran-3- carbonitrile (Compound 2075, 3.66 g, 14.07 mmol, 32.91percent yield) as a brown oil: ESMS (M+H) 261.32; 1H NMR (CDC13, 300 MHz) delta 7.47 (s, 1 H), 7.46 (s, 1 H), 4.68 (q, J = 9, 2 H), 4.06 (m, 4 H), 2.42 (m, 3 H).

Reference： [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 94; 98

7
[ 699-98-9 ]
[ 919278-39-0 ]
[ 1315544-72-9 ]

Yield	Reaction Conditions	Operation in experiment
47.27%		As shown in step 16-iv of Scheme 16, to Compound 2047 (7.16 g, 43.36 mmol) in THF (204.6 mL) at 23C was added furo[3,4-¾]pyridine-5,7-dione (6.465 g, 43.36 mmol) followed by the addition of DMAP (52.97 mg, 0.4336 mmol). The reaction mixture was stirred at 50C. After 3 hours, acetic anhydride (8.853 g, 8.182 mL, 86.72 mmol) was added and the reaction mixture heated at 70C for another 1.5 hours. After cooling, the reaction mixture was concentrated and the residue partitioned between DCM and saturated aqueous NaHC03 (100 mL each). The aqueous layer was extracted with DCM (50 mL) and the combined organics were washed with saturated aqueous NaHC03 (100 mL), dried (MgS04), filtered, and concentrated under reduced pressure. The residue was recrystallized from hot EtOAc/hexanes to give 6-(l-(2,2,2-trifluoroethyl)-lH-pyrazol-4-yl)-5H-pyrrolo[3,4- £]pyridine-5,7(6H)-dione (Compound 2048, 6.07 g, 20.49 mmol, 47.27%>) as yellow needles: ESMS (Mu+Eta) 297.23; 1H NMR (CDC13, 300 MHz) delta 9.05 (m, 1H), 8.32 (s, 1H), 8.31 (s, 1H), 8.26 (m, 1H), 7.70 (m, 1H), 4.79 (q, J = 9 Hz, 2H).

Reference： [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 75; 78

8
[ 919278-39-0 ]
[ 1315544-73-0 ]

Reference： [1]Patent: WO2011/87776,2011,A1

9
[ 919278-39-0 ]
[ 1315545-14-2 ]

Reference： [1]Patent: WO2011/87776,2011,A1

10
[ 919278-39-0 ]
[ 1315544-74-1 ]

Reference： [1]Patent: WO2011/87776,2011,A1

11
[ 919278-39-0 ]
[ 1315544-75-2 ]

Reference： [1]Patent: WO2011/87776,2011,A1

12
[ 919278-39-0 ]
[ 1315544-76-3 ]

Reference： [1]Patent: WO2011/87776,2011,A1

13
[ 919278-39-0 ]
[ 1315537-94-0 ]

Reference： [1]Patent: WO2011/87776,2011,A1

14
[ 919278-39-0 ]
[ 1315538-24-9 ]
[ 1315538-23-8 ]

Reference： [1]Patent: WO2011/87776,2011,A1

15
[ 919278-39-0 ]
[ 1315544-77-4 ]

Reference： [1]Patent: WO2011/87776,2011,A1

16
[ 919278-39-0 ]
[ 1315544-78-5 ]

Reference： [1]Patent: WO2011/87776,2011,A1

17
[ 919278-39-0 ]
[ 1315544-79-6 ]

Reference： [1]Patent: WO2011/87776,2011,A1

18
[ 919278-39-0 ]
[ 1315544-80-9 ]

Reference： [1]Patent: WO2011/87776,2011,A1

19
[ 919278-39-0 ]
[ 1315537-19-9 ]

Reference： [1]Patent: WO2011/87776,2011,A1

20
[ 919278-39-0 ]
[ 1315544-81-0 ]

Reference： [1]Patent: WO2011/87776,2011,A1

21
[ 919278-39-0 ]
2-chloro-7-hydroxy-6-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one [ No CAS ]

Reference： [1]Patent: WO2011/87776,2011,A1

22
[ 919278-39-0 ]
[ 1315538-06-7 ]

Reference： [1]Patent: WO2011/87776,2011,A1

23
[ 919278-39-0 ]
[ 1315544-83-2 ]

Reference： [1]Patent: WO2011/87776,2011,A1

24
[ 919278-39-0 ]
[ 1315544-84-3 ]

Reference： [1]Patent: WO2011/87776,2011,A1

25
[ 919278-39-0 ]
[ 1315544-85-4 ]

Reference： [1]Patent: WO2011/87776,2011,A1

26
[ 919278-39-0 ]
[ 1315537-77-9 ]

Reference： [1]Patent: WO2011/87776,2011,A1

27
[ 919278-39-0 ]
[ 1315544-87-6 ]

Reference： [1]Patent: WO2011/87776,2011,A1
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

28
[ 919278-39-0 ]
[ 1315544-88-7 ]

Reference： [1]Patent: WO2011/87776,2011,A1
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

29
[ 919278-39-0 ]
[ 1315544-89-8 ]

Reference： [1]Patent: WO2011/87776,2011,A1
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

30
[ 919278-39-0 ]
[ 1315536-93-6 ]

Reference： [1]Patent: WO2011/87776,2011,A1
[2]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

31
[ 919278-39-0 ]
[ 1315544-92-3 ]

Reference： [1]Patent: WO2011/87776,2011,A1

32
[ 919278-39-0 ]
[ 1315541-27-5 ]

Reference： [1]Patent: WO2011/87776,2011,A1

33
[ 919278-39-0 ]
[ 1315537-14-4 ]

Reference： [1]Patent: WO2011/87776,2011,A1

34
[ 919278-39-0 ]
[ 1315544-95-6 ]

Reference： [1]Patent: WO2011/87776,2011,A1

35
[ 919278-39-0 ]
[ 1315544-97-8 ]

Reference： [1]Patent: WO2011/87776,2011,A1

36
[ 919278-39-0 ]
[ 1315544-96-7 ]

Reference： [1]Patent: WO2011/87776,2011,A1

37
[ 919278-39-0 ]
[ 1315544-98-9 ]

Reference： [1]Patent: WO2011/87776,2011,A1

38
[ 919278-39-0 ]
[ 1315544-99-0 ]

Reference： [1]Patent: WO2011/87776,2011,A1

39
[ 919278-39-0 ]
[ 1315545-00-6 ]

Reference： [1]Patent: WO2011/87776,2011,A1

40
[ 919278-39-0 ]
[ 1315544-13-8 ]

Reference： [1]Patent: WO2011/87776,2011,A1

41
[ 919278-39-0 ]
[ 1315544-66-1 ]
[ 1315535-73-9 ]

Yield	Reaction Conditions	Operation in experiment
9%	With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 110℃; for 3h;	As shown in step 9-v of Scheme 9, Compound 2033 (100 mg, 0.252 mmol), 1- (2,2,2-trifluoroethyl)-4-aminopyrazole (42 mg, 0.25 mmol), and DIEA (65 mg, 0.5 mmol) were dissolved in 4 mL of DMF and heated for 3 hours at 110C. The reaction mixture was cooled, diluted with water, and extracted with EtOAc. The organics were washed with water, brine, dried over sodium sulfate, and solvent removed under reduced pressure. The crude product was passed through a plug of silica gel, which was eluted with 5% EtOH/EtOAc. Purification of the filtrate by silica gel chromatography (5% MeOH/DCM - 7.5%MeOH/DCM) gave 2-(5,6-dimethoxypyridin-3-yl)-4-methoxy-6-(l-(2,2,2-trifluoroethyl)-lH- pyrazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-¾]pyridin-5-one (Compound 88, 11 mg, 9% yield) as a bei e solid: ESMS (M+l) 450.

Reference： [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 66

42
[ 919278-39-0 ]
[ 1315544-90-1 ]
[ 1315544-91-2 ]

Yield	Reaction Conditions	Operation in experiment
80%	With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23℃; for 2h;	As shown in step 22-ii of Scheme 22, to a solution of 1 -(2,2,2- trifluoroethyl)pyrazol-4-amine (Compound 2047, 5.78 g, 35.0 mmol), 2-chloro-6-(5,6- dimethoxy-3-pyridyl)pyridine-3-carboxylic acid (Compound 2068, 9.38 g, 31.8 mmol) and HBTU (13.28 g, 35.0 mmol) in DMF (150 mL) at 23 C was added DIEA (12.35 g, 16.64 mL, 95.52 mmol). The reaction mixture was stirred for 2 h and then partitioned between EtOAc (400 mL) and water (400 mL). The organic layer was separated, washed with water (400 mL), 10% aqueous Na2C03 (300 mL), brine (300 mL), combined brine and 2 N HC1 (300 mL, 20 mL), and brine (300 mL). The organic layer was then diluted with EtOAc (150 mL) and EtOH (70 mL) and warmed to 75 C with swirling to give a clear solution. The solution was treated with MgS04 and filtered while still warm. After concentration under reduced pressure, the residue was dissolved/suspended in EtOAc (200 mL) and spun at 80 C for 1 h to give a uniform suspension. Hexanes (200 mL) were added and the resulting suspension was left standing at 23 C for 14 h. The precipitate was collected via filtration, washed with hexanes (100 mL) to provide 2-chloro-6-(5,6-dimethoxy-3-pyridyl)-N-[l-(2,2,2- trifluoroethyl)pyrazol-4-yl]pyridine-3-carboxamide (Compound 2069, 11.32 g, 80% yield) as a white solid after drying in vacuo: ESMS (M+H) 442.50; 1H NMR (DMSO-d6, 300 MHz) delta 10.86 (s, 1 H), 8.49 (d, J = 1.89, 1 H), 8.25 (s, 1 H), 8.16 (m, 2 H), 7.88 (d, J = 1.89, 1 H), 7.66 (s, 1 H), 5.16 (q, J = 9.10, 2 H), 3.95 (s, 3 H), 3.92 (s, 3 H).

Reference： [1]Patent: WO2011/87776,2011,A1 .Location in patent: Page/Page column 89-90; 92

43
[ 919278-39-0 ]
[ 1566543-84-7 ]
[ 1566543-04-1 ]

Yield	Reaction Conditions	Operation in experiment
26%	With toluene-4-sulfonic acid; In 1,4-dioxane; at 120℃; for 3h;Microwave irradiation;	1-(2-(2-(5-Chloro-2-((1-(2, 2, 2-trifluoroethyl) - 1H-pyrazol-4-yI)amino)pyrimidin-4- yI)ethyl)phenyl)cyclopropanecarboxamide (29)A mixture of i-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine (0.160 g, 0.967 mmol), i-(2- (2-(2, 5-dichloropyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxam ide Al 4 (0.101 g,0.300 mmol) and TsOH.H20 (0.010 g, 0.051 mmol) in 1,4-dioxane (2.0 mL) was heated to 120 00 for 3 hours in the microwave. The mixture was concentrated under reduced pressure and purified using silica gel column chromatography (0-100%EtOAc in petroleum benzine 40-60 C) to give the title compound 29 (0.036 g, 26%).LCMS-D: rt 3.402 mm; m/z 465.2 [M+H].

Reference： [1]Patent: WO2014/26243,2014,A1 .Location in patent: Page/Page column 132; 133

44
[ 919278-39-0 ]
[ 3535-37-3 ]
[ 1363775-28-3 ]

Yield	Reaction Conditions	Operation in experiment
93%	With triethylamine; In dichloromethane; at 0 - 20℃; for 2h;	To pyrazole (3 mmol, 1.0 equiv) and Et3N (4.5 mmol, 1.5 equiv) dissolved in dichloromethane (15 mL) was added acyl chloride (3.15 mmol, 1.05 equiv) in an ice-waterbath. After the completion of addition, the resultant reaction mixture was warmed to room temperature and kept for 2hrs. On the completion of the reaction, the solvent of the reaction mixture was removed under reduced pressure. The residue was poured into water (50 mL) andthe desired product was obtained.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

45
[ 919278-39-0 ]
[ 1637587-33-7 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

46
[ 919278-39-0 ]
[ 1637587-35-9 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

47
[ 919278-39-0 ]
[ 1637587-36-0 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

48
[ 919278-39-0 ]
[ 1637587-37-1 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

49
[ 919278-39-0 ]
[ 1637587-38-2 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

50
[ 919278-39-0 ]
[ 1637587-39-3 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

51
[ 919278-39-0 ]
[ 1637587-40-6 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

52
[ 919278-39-0 ]
[ 1637587-41-7 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

53
[ 919278-39-0 ]
[ 1637587-42-8 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

54
[ 919278-39-0 ]
[ 1637587-50-8 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

55
[ 919278-39-0 ]
[ 1637587-25-7 ]

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

56
[ 108-86-1 ]
[ 919278-39-0 ]
[ 1637587-26-8 ]

Yield	Reaction Conditions	Operation in experiment
46%	With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In 1,4-dioxane; water; at 110℃;Inert atmosphere;	General procedure: To 1,4-dioxane (15 mL) and water (1 mL) mixture were added bromopyridine (3 mmol, 1.0 equiv), substituted pyrazole (3.6 mmol, 1.2 equiv), Pd(dppf)Cl2 (0.3mmol, 1.0 equiv) and Cs2CO3 (6 mmol, 2.0 equiv) under N2 atmosphere. The reaction mixture was warmed to 110 C and kept overnight. After the completion of the reaction, the content was poured into water (100 mL) and extracted with ethyl acetate. The combined organic phase was dried over Na2SO4 and the solvent was removed under reduced pressure. Desired product was obtained after purification with flash chromatography(PE/EtOAc = 1:0~1:1).

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

57
[ 919278-39-0 ]
[ 1236354-21-4 ]
[ 1637587-27-9 ]

Yield	Reaction Conditions	Operation in experiment
73%	With pyridine; oxygen; copper diacetate; In dichloromethane; for 48h;Reflux;	To dichloromethane (15 mL) was added aminopyrazole (5 mmol, 1.0equiv), phenyl boric acid (7.5 mmol, 1.5 equiv), Cu(OAc)2 (10 mmol, 2.0 equiv) and anhydrous pyridine (50 mmol, 10.0 equiv) under O2 atmosphere. The reaction mixture was heated to reflux and kept for 48 hrs. After the completion of the reaction, the solvent was evaporated under reduced pressure. The residue was purified with flash chromatography (PE/EtOAc = 1:0~3:1) to generate the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

58
[ 919278-39-0 ]
2-halo-4-methylpyrimidine [ No CAS ]
[ 1637587-17-7 ]

Yield	Reaction Conditions	Operation in experiment
80%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 145℃; for 1h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

59
[ 919278-39-0 ]
2-halo-5-fluoropyridine [ No CAS ]
[ 1637587-15-5 ]

Yield	Reaction Conditions	Operation in experiment
83%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

60
[ 919278-39-0 ]
2-halo-5-methylpyrazine [ No CAS ]
[ 1637587-19-9 ]

Yield	Reaction Conditions	Operation in experiment
68%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

61
[ 919278-39-0 ]
2-halo-5-methylpyridine [ No CAS ]
[ 1637587-13-3 ]

Yield	Reaction Conditions	Operation in experiment
81%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

62
[ 919278-39-0 ]
2-halo-5-methylpyrimidine [ No CAS ]
[ 1637587-18-8 ]

Yield	Reaction Conditions	Operation in experiment
77%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 145℃; for 1h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

63
[ 919278-39-0 ]
2-halo-5-nitropyridine [ No CAS ]
[ 1637587-16-6 ]

Yield	Reaction Conditions	Operation in experiment
63%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

64
[ 919278-39-0 ]
2-halo-6-cyanopyridine [ No CAS ]
[ 1637587-14-4 ]

Yield	Reaction Conditions	Operation in experiment
88%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

65
[ 919278-39-0 ]
2-halopyridine [ No CAS ]
[ 1637587-12-2 ]

Yield	Reaction Conditions	Operation in experiment
76%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 150℃; for 1.5h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

66
[ 919278-39-0 ]
2-halopyrimidine [ No CAS ]
[ 1637587-10-0 ]

Yield	Reaction Conditions	Operation in experiment
84%	With toluene-4-sulfonic acid; In isopropyl alcohol; at 145℃; for 1h;Microwave irradiation;	General procedure: Aminopyrazole (3.0 mmol, 1.0 equiv), halide (3.15mmol, 1.05 equiv) and TsOH (3.0 mmol, 1.0 equiv) were added to 2-propanol (10 mL). The resultant mixture was reacted under microwave radiation at 145 C for 1hrs. On the completion of the reaction, the solvent was removed under reduced pressure. To the residue was added water (50 mL),neutralized with saturated aqueous NaHCO3, extracted with ethyl acetate. The combined organic phase was successively washed with water, brine for three times and dried over Na2SO4. Afterthe removal of the solvent, purification of the residue with flash chromatography (MeOH/H2O =0:1~10:1) gave the desired product.

Reference： [1]ARKIVOC,2014,vol. 2014,p. 72 - 93

67
[ 919278-39-0 ]
C₁₆H₁₅ClN₆O₂S₂ [ No CAS ]
2-(1-(ethylsulfonyl)-3-(4-(2-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)amino)thieno[3,2-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
38%	With toluene-4-sulfonic acid; In butan-1-ol; at 110℃; for 18h;	Compound 69-a (176 mg, 1.07 mmol) and compound 5 (150 mg, 0.36 mmol) were dissolved in n-butanol (0.5 mL), p-toluene sulfonic acid monohydrate (170 mg, 0.89 mmol) was added. The mixture was heated to 110 C. and stirred for 18 hours, then cooled to room temperature. The mixture was concentrated under reduced pressure to remove the solvent, the residue was treated with saturated aqueous sodium bicarbonate solution (50 mL), extracted with dichloromethane (50 mL×2). The organic layers were combined, dried over anhydrous sodium sulfate, then filtrated, the filtrate was concentrated under reduced pressure. The residue was purified by preparation TLC (chromatographic solution:ethyl acetate) to give yellow solid T-69 (73 mg, yield: 38%). LC-MS (ESI): m/z=552 [M+H]+. (0435) 1H-NMR (400 MHz, CDCl3) delta: 8.47 (s, 1H), 8.35 (s, 1H), 8.18 (s, 1H), 7.91 (d, J=5.2 Hz, 1H), 7.63 (s, 1H), 7.34 (d, J=5.2 Hz, 1H), 7.22 (s, 1H), 4.74 (dd, J=16.8 Hz, J=8.4 Hz, 2H), 4.64 (d, J=9 Hz, 2H), 4.24 (d, J=9 Hz, 2H), 3.41 (s, 2H), 3.10 (q, J=7 Hz, 2H), 1.42 (t, J=7 Hz, 3H) ppm

Reference： [1]Patent: US2015/336982,2015,A1 .Location in patent: Paragraph 0431; 0434; 0435

68
[ 919278-39-0 ]
[ 1609082-37-2 ]
8-[(2,6-difluorobenzyl)oxy]-2,6-dimethyl-N-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
81%	With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20℃;	80 mg of 8-[(2,6-difluorobenzyl)oxy]-6-fluoro-2-methylimidazo[ 1 ,2-a]pyridine-3-carboxylic acid (Example hA; 0.24 mmol, 1 equivalent), 118 mg of O-(7-azabenzo- triazol-1 -yl)-N,N,N?N?-tetramethyluronium hexafluorophosphate (HATU; 0.31 mmol, 1.3 equivalents) and 118 jtl of N,N-diisopropylethylamine (DIPEA; 0.714 mmol, 3 equivalents) were initially charged in 0.75 ml of DMF, and 37 mg of 3,5-dimethyl-1H-pyrazole-4-amine (0.33 mmol, 1.4 equivalents) were added and the mixture was stirred at RT overnight. Water was added, the reaction solution was filtered oil with suction and the product was washed with water and dried under high vacuum overnight. This gave 97 g (93% of theory) of the title compound as slightly beigecrystals.; 10649] The examples shown in Table 10 were prepared analogously to Example 48 by reacting the appropriate carboxylic acids with the appropriate commercially available amines (1-3 equivalents), HATU (1-2.5 equivalents) and N,N-diisopropylethylamine (4-6 equivalents) at RT. The reaction times were 1-3 days. Optionally, the purifications were carried out by preparative HPLC (RP1 8 column; mobile phase: acetonitrile/water gradient with addition of 0.1% trifluoroacetic acid) and/or by silica gel chromatography (mobile phase gradient: dichloromethane/methanol). The product-containing fractions were optionally concentrated, the residue was dissolved in ethyl acetate or dichloromethane/methanol and washed with a little saturated aqueous sodium bicarbonate solution, and the organic phase was then dried over sodium sulphate and filtered and the filtrate was concentrated.LC-MS (Method 2): R = 0.93 mill MS (ESpos): m/z = 480 (M + H) ?H-NMR (400 MHz, DMSO-d6): =2.30 (s, 3H), 2.50 (s, 3H), 5.18 (q, 2H),5.30 (s, 2H), 6.95 (s, 1H), 7.24 (t, 2H),7.60 (quint, 1H), 7.72 (s, 1H), 8.22 (s,1H), 8.42 (s, 1H), 10.04 (s, 1H).

Reference： [1]Patent: US2016/362408,2016,A1 .Location in patent: Paragraph 0598; 0599; 0600; 0601; 0602; 0649

69
[ 919278-39-0 ]
C₁₈H₁₉ClN₄O₂S [ No CAS ]
C₂₃H₂₄F₃N₇O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
41%	With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 110℃; for 1h;Microwave irradiation; Inert atmosphere; Sealed tube;	A solution of S-12 (0.2 g, 0.512 mmol), amine 1-(2,2,2-trifluoroethyl)-1H- pyrazol-4-amine S-14d (0.101 g, 0.615 mmol), Cs2CO3(0.332 g, 1.024 mmol) and 1,4- dioxane (3 mL) was charged into a microwave vial with stirrer bar. Argon gas was purged through septum and the reaction mixture was degassed for about 5 min. To this reaction mixture, Xantphos (0.029 g, 0.051 mmol) and Pd2(dba)3(0.047 g, 0.051 mmol) were added under inert atmosphere. This reaction mixture was purged with argon gas again for 5 min. The microwave vial was sealed and irradiated at 110 C for 1 h in CEM-microwave instrument. The reaction mixture was filtered, washed with EtOAc (50 mL) and the filtrate was concentrated under reduced pressure. The crude product was purified by column chromatography on silica gel using 0- 60% EtOAc in hexanes as eluent to afford S-16d (0.11 g, 41%, AMRI lot IN-CKB-G-20) as a brown solid. The compound wascharacterized by1H NMR analysis.1H-NMR (300 MHz, CDCl3): delta 8.45 (bs, 1H),7.89 (d, J = 8.40 Hz, 2H), 7.45 (s, 1H), 7.16 (s, 1H), 7.12 (t, J = 4.20 Hz, 2H), 6.60 (s, 1H), 6.24 (d, J = 3.90 Hz, 1H), 4.76 (d, J = 7.20 Hz, 1H), 4.68 (q, J = 8.40 Hz, 2H), 3.63- 3.54 (m, 1H), 2.28 (s, 3H), 1.21 (d, J = 6.60 Hz, 3H), 0.90- 0.78 (m, 1H), 0.50- 0.34 (m, 2H), 0.30- 0.17 (m, 2H); MS-UPLC (MM) m/z 520.2 [M + H]+.

Reference： [1]Patent: WO2017/106771,2017,A1 .Location in patent: Paragraph 00458

70
[ 919278-39-0 ]
4-methyl-5-((tetrahydrofuran-2-yl)methyl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

71
[ 919278-39-0 ]
5-(2-chloroethyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-pyrrolo[3,4-c]pyridine-1,6-dione [ No CAS ]
5-(2-chloroethyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

72
[ 919278-39-0 ]
5-(2,2-dimethoxyethyl)-4-methyl-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

73
[ 919278-39-0 ]
5-(2,2-difluoroethyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

74
[ 919278-39-0 ]
ethyl 2-[4-methyl-3,6-dioxo-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridin-5-yl]acetate [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

75
[ 919278-39-0 ]
4-methyl-5-(2-(methylthio)ethyl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

76
[ 919278-39-0 ]
4-methyl-5-tetrahydropyran-4-yl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

77
[ 919278-39-0 ]
4-methyl-5-((methylsulfonyl)methyl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

78
[ 919278-39-0 ]
5-(3-furyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

79
[ 919278-39-0 ]
4-methyl-5-(spiro[3.3]heptan-2-yl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

80
[ 919278-39-0 ]
4-methyl-5-(1-methyl-1H-pyrazol-4-yl)-2-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridine-3,6(5H)-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

81
[ 919278-39-0 ]
5-(4-fluorophenyl)-4-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1H-pyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

82
[ 919278-39-0 ]
4-methyl-5-[(2R)-2-phenylcyclopropyl]-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1Hpyrrolo[3,4-c]pyridine-3,6-dione [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

83
[ 919278-39-0 ]
C₁₃H₁₁F₃N₄O₂ [ No CAS ]

Reference： [1]ACS Medicinal Chemistry Letters,2019,vol. 10,p. 117 - 120

84
[ 919278-39-0 ]
[ 3939-12-6 ]
5-(aminomethyl)-N-(1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)pyridin-2-amine [ No CAS ]

Reference： [1]Patent: US2019/322673,2019,A1

85
[ 919278-39-0 ]
[ 3939-12-6 ]
[ 1637587-14-4 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate;	Step 1. 6-((1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl)amino)nicotinonitrile A mixture of <strong>[3939-12-6]6-fluoropyridine-3-carbonitrile</strong> (680 mg, 5.569 mmol), 1-(2,2,2-trifluoroethyl)pyrazol-4-amine (895 mg, 5.420 mmol), and potassium carbonate (1.74 g, 12.6 mmol) were taken into 10 ml of DMF and microwaved for 30 minutes at 160 C. The reaction was poured into water and extracted with ethyl acetate (350 mL). The combined organic extracts were washed with water (220 mL) and brine (1*20 mL), and dried over anhydrous sodium sulfate and concentrated in vacuo to provide the title product, wt. 1.4 g; ESMS (M+1)=268.01.

Reference： [1]Patent: US2019/322673,2019,A1 .Location in patent: Paragraph 0478; 0815

86
[ 919278-39-0 ]
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonyl chloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16%		A mixture of conc HCl (1.9 mL) in water (1.3 mL) and acetonitrile (6.5 mL) was cooled to -10 C (acetone/dry ice bath) and treated with a solution of sodium nitrite (426 mg, 6.18 mmol) in water (0.7 mL) dropwise, maintaining internal temperature below 0 C. A yellow solution formed which was stirred for 10 minutes and then treated at 0 C over 15 minutes with a solution of <strong>[919278-39-0]1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine</strong> (850 mg, 5.15 mmol) in MeCN (6.5 mL), which was pre-cooled to 0 C. The resulting reaction mixture was stirred at 0 C for 45 minutes. Cold acetic acid (2.6 mL), copper(II) chloride (346 mg, 2.57 mmol) and copper(I) chloride (25.5 mg, 0.257 mmol) were sequentially added to the reaction mixture. Then the reaction mixture was purged with sulfur dioxide gas for 70 minutes at 0 C. The reaction mixture was diluted with water (15 mL) and extracted with EtOAc (3 x 30 mL), then dried (MgSO4), filtered and concentrated to dryness to give a brown paste. The crude product was purified by chromatography on silica gel (40 g column, 0-50% DCM/isohexane) to afford the title compound (420 mg, 16 %) as a clear yellow oil. 1H NMR (Chloroform-d) d 8.20 (s, 1H), 8.06 (s, 1H), 4.81 (q, J = 8.1 Hz, 2H).

Reference： [1]Patent: WO2020/104657,2020,A1 .Location in patent: Page/Page column 87

87
[ 919278-39-0 ]
1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamid [ No CAS ]

Reference： [1]Patent: WO2020/104657,2020,A1

88
[ 919278-39-0 ]
N-((4-chloro-2,6-diisopropylphenyl)carbamoyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide [ No CAS ]

Reference： [1]Patent: WO2020/104657,2020,A1

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 919278-39-0 ]

Fluorinated Building Blocks

[ 1185177-94-9 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine hydrochloride

Similarity: 0.98

[ ]

Similarity: 0.94

[ 919278-38-9 ]

4-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Similarity: 0.79

[ 947179-47-7 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-amine

Similarity: 0.76

[ 918483-35-9 ]

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Similarity: 0.75

Amines

[ 1185177-94-9 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine hydrochloride

Similarity: 0.98

[ ]

Similarity: 0.94

[ 876343-24-7 ]

1-Ethyl-1H-pyrazol-4-amine

Similarity: 0.83

[ 948573-26-0 ]

1-Ethyl-1H-pyrazol-4-amine monohydrochloride

Similarity: 0.81

[ 1609395-52-9 ]

1-Ethyl-1H-pyrazol-4-amine dihydrochloride

Similarity: 0.81

Trifluoromethyls

[ 1185177-94-9 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine hydrochloride

Similarity: 0.98

[ 919278-38-9 ]

4-Nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Similarity: 0.79

[ 947179-47-7 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-amine

Similarity: 0.76

[ 918483-35-9 ]

4-Iodo-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Similarity: 0.75

[ 1349718-89-3 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-3-amine hydrochloride

Similarity: 0.75

Related Parent Nucleus of
[ 919278-39-0 ]

Pyrazoles

[ 1185177-94-9 ]

1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-amine hydrochloride

Similarity: 0.98

[ ]

Similarity: 0.94

[ 876343-24-7 ]

1-Ethyl-1H-pyrazol-4-amine

Similarity: 0.83

[ 948573-26-0 ]

1-Ethyl-1H-pyrazol-4-amine monohydrochloride

Similarity: 0.81

[ 1609395-52-9 ]

1-Ethyl-1H-pyrazol-4-amine dihydrochloride

Similarity: 0.81

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. 919278-39-0 ] {[proInfo.proName]}

Quality Control of [ 919278-39-0 ]

Related Doc. of [ 919278-39-0 ]

Product Details of [ 919278-39-0 ]

Calculated chemistry of [ 919278-39-0 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 919278-39-0 ]

Application In Synthesis of [ 919278-39-0 ]

[ 919278-39-0 ] Synthesis Path-Downstream 1~88

Related Functional Groups of [ 919278-39-0 ]

Fluorinated Building Blocks

Amines

Trifluoromethyls

Related Parent Nucleus of [ 919278-39-0 ]

Pyrazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 919278-39-0 ]

Related Parent Nucleus of
[ 919278-39-0 ]