(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

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(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Suppliers list
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CAS:764667-65-4
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Products Intro: Product Name:(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
CAS:764667-65-4

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one manufacturers
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Basic information
Product Name:(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one
Synonyms:1-(3-(TrifluoroMethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione;1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophen;rac-Sitagliptin 3-Ketone;1,3-Butanedione,1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-;-4-(2,4,5-trifluorophenyl);-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H);1-(3-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorop;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-one
CAS:764667-65-4
MF:C16H12F6N4O2
MW:406.28
EINECS:619-997-4
Product Categories:Pyrazine;Aromatics Compounds;Aromatics;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
Mol File:764667-65-4.mol
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Structure
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Chemical Properties
Melting point 82-84°C
Boiling point 513.9±60.0 °C(Predicted)
density 1.60±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,2-8°C
solubility Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
pka11.44±0.20(Predicted)
form Solid
color Off-White to Pale Beige
Major Applicationpharmaceutical small molecule
InChI1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2
InChIKeyQAEDTLFWHIEVPK-UHFFFAOYSA-N
SMILESFC(F)(F)c1[n]2c(nn1)CN(CC2)C(=O)CC(=O)Cc3c(cc(c(c3)F)F)F
LogP2.424
CAS DataBase Reference764667-65-4(CAS DataBase Reference)
Safety Information
WGK Germany WGK 3
Storage Class11 - Combustible Solids
MSDS Information
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Usage And Synthesis
Chemical PropertiesBrown Oil
Uses4-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-one is a Sitagliptin intermediate.
Synthesis
ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate

1151240-88-8

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

486460-21-3

(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one

764667-65-4

Potassium tert-butoxide (2.24 g, 20 mmol) was dissolved in 40 mL of tetrahydrofuran in a 100 mL single-necked flask and stirred for 1 min at room temperature. Subsequently, ethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate (1.91 g, 10 mmol) and 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (2.60 g, 10 mmol) were added sequentially and stirring was continued for 60 min at room temperature. After completion of the reaction, the tetrahydrofuran was removed by distillation under reduced pressure. The residue was extracted by adding 50 mL of water and 50 mL of dichloromethane to the residue. The organic phase was separated and dried over anhydrous sodium sulfate, followed by evaporation of the solvent. The crude product was recrystallized by dichloromethane and cyclohexane to give 3.33 g of 1-(3-trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazol-[4,3-A]pyrazine-7(8H)-yl)-4-(2,4,5-trifluorophenyl)-1,3-butanedione in 82% yield and 99% purity.

References[1] Patent: CN108178761, 2018, A. Location in patent: Paragraph 0032; 0038; 0039; 0061-0066
(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one Preparation Products And Raw materials
Raw materialsethyl 3-oxo-4-(2,4,5-trifluorophenyl)butanoate-->2,2-Dimethyl-1,3-dioxane-4,6-dione-->3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-->2,4,5-Trifluorophenylacetic acid-->Tetrahydrofuran-->Potassium-->Recombinant Human Telomerase
Tag:(2Z)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-one(764667-65-4) Related Product Information
Doxazosin Doxazosin mesylate Prazosin Terazosin Dihydromyrcenol Alfuzosin hydrochloride Terazosin hydrochloride Pyrazine Benzenebutanoicacid,b-[[(1,1-diMethylethoxy)carbonyl]aMino]-2,4,5-trifluoro-,Methylester,(bR)- Sitagliptin Methyl 3-Oxo-4-(2,4,5-trifluorophenyl)butanoate Benzenebutanoicacid,b-aMino-2,4,5-trifluoro-,Methylester,(bR)- Sitagliptin DeaMino IMpurity 1 Sitagliptin Sitagliptin N-Sulfate (R)-methyl 3-acetamido-4-(2,4,5-trifluorophenyl)butanoate Alfuzosin 2,4,5-TRIFLUOROBENZYL CHLORIDE