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

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Names

[ Name ]:
(1R,2R,3R)-Aprepitant

[Synonym ]:
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

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

Related Compounds

(1R,2R,3R,4R)-3,4-di-O-benzyl-5-(benzyloxymethyl)cyclohex-5-ene-1,2,3,4-tetraol
(1R,2R,3R,5R,6R)-2-Amino-3-(2-propenyloxy)-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
(1R,2R,3R,5R)-(2-tert-Butoxycarbonylamino)-6,6-dimethylbicyclo[3.1.1]heptan-3-carboxylic acid
(1R,2R,3R)-1-(1ξ-Hydroxy-ethyl)-2-(2-ethyl-3-methyl-butyryl)-3-methyl-cyclopentan
(1R,2R,3R,4S,5R,6S)-2,3,6-trihydroxy-4,5-di-O-isopropylidene-1-O-methylcyclohexane
(3aS,4R,7S,7aR)-3a,4,7,7a-tetrahydro-7-(methoxymethoxy)-2,2-dimethyl-1,3-benzodioxol-4-ol monobenzoate