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N-Boc-Sitagliptin

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N-Boc-Sitagliptin / CAS : 486460-23-5

Appearance white solid UN 0
HS 29420000 DG Class 0
Synonyms Sitagliptin N-Boc Impurity; 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; TERT-Butylr-4-3-Trifluoromethyl-5,6-Dihydro-[1,2,4] Triazolo[4,3-A]Pyrazin-78H-YL-L-2,4,5-Trifluorophenyl-4-OX; (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;; N-Boc Sitagliptin;; Sitagliptin N-Boc Impurity;; 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
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Properties

Summary

Formula
C21H23F6N5O3
Molecular Mass
507.42900
Exact Mass
507.17100
PSA
92.84000
Logp
3.72480
IUPAC
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[C@H](CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
188-191 °C(Solv: toluene (108-88-3))
Density
1.46±0.1 g/cm3(Predicted)
Appearance
white solid

Export information

HS Code
29420000
Export Rebate
13%
UN No.
0
DG-Class
0

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