Structure of N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester CAS 486460-23-5

N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester CAS 486460-23-5

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Identification

CAS Number

486460-23-5

Name

N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester

Synonyms

(R)-tert-Butyl (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
[(2R)-4-Oxo-4-[3-(trifluorométhyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophényl)-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1,1-Dimethylethyl N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamate
2-Methyl-2-propanyl [(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)-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2R)-4-oxo-4-[3-(trifluormethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorphenyl)-2-butanyl]carbamat [German] [ACD/IUPAC Name]
486460-23-5 [RN]
Carbamic acid, N-[(1R)-3-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
(R)-[3-OXO-1-(2,4,5-TRIFLUORO-BENZYL)-3-(3-TRIFLUOROMETHYL-5,6-DIHYDRO-8H-[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7-YL)-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
7-[3-(R)-tert-butoxycarbonylamino-4-(2,4,5-trifluoro-phenyl)butyryl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine
http:////www.amadischem.com/proen/575609/
MFCD29044848
n-boc-sitagliptin
tert-Butyl [(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-yl]carbamate
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

SMILES

CC(C)(C)OC(=O)N[[email protected]](Cc1cc(c(cc1F)F)F)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2

StdInChI

InChI=1S/C21H23F6N5O3/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34)/t12-/m1/s1

StdInChIKey

RHCVXZBZEKGRQP-GFCCVEGCSA-N

Molecular Formula

C21H23F6N5O3

Molecular Weight

507.429

MDL Number

MFCD29044848

Properties

Appearance

White powder

Safety Data

Signal Word

Warning

Hazard statements

H302-H315-H319-H335-H373-H412

Precautionary Statements

P260-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

WGK Germany

3

Specifications and Other Information of Our Specifications and Other Information of Our N-[(1R)-3-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxo-1-[(2,4,5-trifluorophenyl)methyl]propyl]carbamic Acid 1,1-Dimethylethyl Ester CAS 486460-23-5

Identification Methods

IR, HPLC

Purity

≥99.2%

Water

≤1.0%

Single Impurity

≤0.5%

Total Impurities

≤1.0%

Shelf Life

2 years

Storage

Under room temperature away from light

Known Application

Often used as an impurity or intermediate of Sitagliptin.

This product is developed by our R&D company Caming Pharmaceutical Ltd (https://www.caming.com/).

This product is developed by our R&D company Watson International Ltd (https://www.watson-int.com/).