(1R,2R,3R)-Aprepitant

Modify Date: 2024-01-10 17:42:02

(1R,2R,3R)-Aprepitant Structure
(1R,2R,3R)-Aprepitant structure
 Common Name (1R,2R,3R)-Aprepitant
CAS Number 1148113-53-4 Molecular Weight 534.427
Density 1.5±0.1 g/cm3 Boiling Point N/A
Molecular Formula C23H21F7N4O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (R,R,R)-Aprepitant
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Molecular Formula C23H21F7N4O3
Molecular Weight 534.427
Exact Mass 534.150208
PSA 83.50000
LogP 4.23
Index of Refraction 1.564

 Safety Information

RIDADR NONH for all modes of transport

 Synthetic Route

3-Chloromethyl-1,2,4-triazolin-5-one structure

3-Chloromethyl-...

CAS#:252742-72-6

(2R,3R)-2-[(1R)-1-(3,5-bis-trifluoro-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine structure

(2R,3R)-2-[(1R)...

CAS#:380499-06-9

~10%

(1R,2R,3R)-Aprepitant Structure

(1R,2R,3R)-Apre...

CAS#:1148113-53-4

Literature: Gangula, Srinivas; Elati, Chandrashekhar R.; Mudunuru, Satish Varma; Nardela, Anitha; Dongamanti, Ashok; Bhattacharya, Apurba; Bandichhor, Rakeshwar Synthetic Communications, 2010 , vol. 40, # 15 p. 2254 - 2268

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

5-{[(2R,3R)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)-4-morpholinyl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
3H-1,2,4-Triazol-3-one, 5-[[(2R,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,4-dihydro-
Aprepitant Impurity 3
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