ChemicalBook--->CAS DataBase List--->762240-92-6

762240-92-6

762240-92-6 Structure

762240-92-6 Structure
IdentificationMore
[Name]

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

762240-92-6
[Synonyms]

3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-α]pyrazine Hydrochloride
5,6,7,8-Tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-α]pyrazine Monohydrochloride
5,6,7,8-Tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine Monohydrochloride
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochlorid
[EINECS(EC#)]

616-309-4
[Molecular Formula]

C6H8ClF3N4
[MDL Number]

MFCD09817638
[Molecular Weight]

228.6
[MOL File]

762240-92-6.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[Melting point ]

236-246°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Usage]

Sitagliptin intermediate
[InChI]

InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H
[InChIKey]

AQCSCRYRCRORET-UHFFFAOYSA-N
[SMILES]

C12=NN=C(C(F)(F)F)N1CCNC2.[H]Cl
[CAS DataBase Reference]

762240-92-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[RIDADR ]

UN2811
[REACH Registrations]

Active
[HS Code ]

2933599577
Hazard InformationBack Directory
[Description]

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride is a pharmaceutical intermediate compound used in the preparation of Sitagliptin phosphate. Sitagliptin is an oral hypoglycaemic agent, a dipeptidyl peptidase-4 inhibitor, which is used in the treatment of type 2 diabetes.
[Chemical Properties]

White Solid
[Uses]

Sitagliptin intermediate
[Synthesis]

A suspension of N'-[(2Z)-Piperazin-2-ylidene]trifluoroacetohydrazide (27.3 g, 0.13 mol) in 110 mL of methanol was WARMED TO 55 ℃. 37% Hydrochloric acid (11.2 mL, 0.14 mol) was added over 15 min at this temperature. During the addition, all solids dissolved, resulting in a clear solution. The reaction was aged for 30 min. The solution was cooled to 20 ℃ and aged at this temperature until a seed bed formed (10 min to 1 h). 300 ML of MTBE was charged at 20 ℃ over 1 h. The resulting slurry was cooled to 2 ℃, aged for 30 min and filtered. Solids were washed with 50 mL of ethanol: MTBE (1: 3) and dried under vacuum at 45 ℃. Yield of 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride was 26.7 g (99.5 area wt% pure by HPLC).
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride(762240-92-6)1HNMR
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