486460-21-3

Basic information

• Product Name: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
• Synonyms: 3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE PHOSPHATE SALT 98% MINHPLC;3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE HYDRO;TAP-4 (Sitagliptin Intermediate);3-trifluoro methyl-[1,2,4]triazole[4,3-a]piperazine;(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazlol[4,3-a]pyrazine;3-Trifluoromethyl-5,6,7,8...;5,6,7,8-Tetrahydro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyrazine;3-(TrifluoroMethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyra
• CAS NO: 486460-21-3
• Molecular Formula: C₆H₇F₃N₄
• Molecular Weight: 192.14
• EINECS: 207-753-6
• Product Categories: Heterocyclic Building Blocks;Amines and Anilines;Heterocycles
• Mol File: 486460-21-3.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 266∶C
• Flash Point: 115∶C
• Appearance: /
• Density: 1.72
• Storage Temp.: 2-8°C(protect from light)
• PKA: 6.27±0.20(Predicted)
• CAS DataBase Reference: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride(486460-21-3)
• EPA Substance Registry System: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride(486460-21-3)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 486460-21-3(Hazardous Substances Data)

Usage

Chemical Properties

White crystalline powder

InChI:InChI:1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2

Upstream product

• 762240-92-6 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 
• 407-25-0 trifluoroacetic anhydride 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 1447800-65-8 2-(1-bromo-2,2,2-trifluoroethylidene)-1-(pyrazin-2-yl)hydrazine 
• 1447800-62-5 2-(2,2,2-trifluoroethylidene)-1-(pyrazin-2-yl)hydrazine 
• 1150656-76-0 (2S)-1-[2-amino-3,3-dimethyl-5-oxo-5-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pentanoyl]pyrrolidine-2-carbonitrile 
• 486460-20-2 3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine 

Downstream Products

• 874360-10-8 tert-butyl [(1S,2R,5S)-5-[3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(2,4,5-trifluorophenyl)cyclohexyl]carbamate 
• 877402-43-2 tert-butyl 3-(trifluoromethyl)-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazine-7(8H)-carboxylate 
• 1037235-17-8 1,4-trans-1-phenyl-4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-cyclohexanecarbonitrile 
• 1037235-28-1 ({cis-1-(3-chlorophenyl)-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]cyclohexyl}methyl)-carbamic acid tert-butyl ester 
• 1037235-30-5 ({trans-1-(3-chlorophenyl)-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]cyclohexyl}methyl)-carbamic acid tert-butyl ester 
• 1242069-61-9 (S)-benzyl (1-hydroxy-4-oxo-4-(3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butan-2-yl)carbamate 
• 1286756-60-2 ((4R,5S)-5-nitro-4-(2, 4, 5-trifluorophenyl)cyclohex-1-enyl)(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4, 3-a]pyrazin-7(8H)-yl)methanone 
• 1352613-30-9 (S)-3-hydroxy-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)butan-1-one 
• 1352613-41-2 (R)-3-(methoxyamino)-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one 
• 486459-71-6 (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine hydrochloride 
• 1374585-82-6 7-(4-nitro-phenyl)-3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 
• 1374585-83-7 4-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-phenylamine 
• 1242069-63-1 (R)-benzyl (4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate 
• 762240-92-6 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 

Relevant articles and documents

Crystal form of quinoline TGF-beta1 inhibitor

The invention belongs to the field of medical chemistry, and relates to a crystal form of a quinoline TGF-beta1 inhibitor as well as a preparation method and application of the crystal form, in particular to a crystal form of 4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazole-4-yl) oxy)-7-(3-(trifluoromethyl)-5, 6-dihydro-[1, 2, 4] triazolo [4, 3-a] pyrazine-7 (8H)-yl) quinoline as shown in a formula (I) and a preparation method of the crystal form. The crystal form can be used for preparing medicines for treating and/or preventing cancers, tissue hyperplasia diseases, fibrosis or inflammatory diseases.

Method for preparing quinoline TGF-β1 inhibitor

The invention belongs to the field of pharmaceutical chemistry, and relates to a preparation method of quinoline TGF-β1 inhibitor, in particular to I ((4 -) propyl 1 - (tetrahydro -3 - pyran - 2H - yl) -4 - pyrazole - 1H -yloxy) -4 - (-7 - (trifluoromethyl) 3 -5 dihydro 6 - [- 1] triazolo [2, 4] pyrazine 4 (8H) 3 - a -7-yl) quinoline or a salt thereof. A process for the preparation of a hydrate, solvate or crystal.

Sitagliptin synthesis method

The invention discloses a sitagliptin synthesis method, which comprises: carrying out a reaction on a compound represented by a formula IV, (R)-(+)-tert-butyl sulfinamide and hydrogen under the catalysis of a catalyst to obtain a compound represented by a formula V; and carrying out a hydrolysis reaction on the compound represented by the formula V to obtain a compound represented by a formula VI,ie., sitagliptin. According to the present invention, the method has advantages of easily available raw materials, simple steps, high yield and mild reaction conditions, and is suitable for industrial production. The formulas IV, V and VI are defined in the specification.