Aprepitant

Suppliers

Names

[ CAS No. ]:
170729-80-3

[ Name ]:
Aprepitant

[Synonym ]:
5-{[(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}-3-(4-fluorphenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-on
3H-1,2,4-triazol-3-one, 5-[[(2R,3S)-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,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-2,4-dihydro-
3H-1,2,4-Triazol-3-one, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-1,2-dihydro-
5-[{(2R,3S)-2-((1R)-1-3,5-bis(trifluoro-methyl)phenylethoxy)-3-(4-fluorophenyl)-4-morpholinyl}methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-{[(2R,3S)-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
Emend
aprepitant
S1189_Selleck
MK-0869
5-[[(2R,3S)-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
MK-869
Emend (TN)
5-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluorométhyl)phényl]éthoxy}-3-(4-fluorophényl)morpholin-4-yl]méthyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
5-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
[3H]-Aprepitant
5-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1,2-dihydro-3H-1,2,4-triazol-3-one
L-754030
Fosaprepitant Impurity 8

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Melting Point ]:
75-76 °C(lit.)

[ Molecular Formula ]:
C23H21F7N4O3

[ Molecular Weight ]:
534.427

[ Exact Mass ]:
534.150208

[ PSA ]:
83.24000

[ LogP ]:
4.23

[ Index of Refraction ]:
1.564

[ Storage condition ]:
-20°C Freezer

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Hazard Codes ]:
Xn,Xi

[ Risk Phrases ]:
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Chloromethyl-1,2,4-triazolin-5-one
  • (2R,3S)-2-[(1R)-1-[3,5-bis(Trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
  • tert-butyl 2-(1-amino-2-((2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholino)ethylidene)hydrazinecarboxylate
  • 1-(3,5-Bis(trifluoromethyl)phenyl)ethanone
  • 4-Benzyl-2,3-Morpholinedione
  • 2-(Benzylamino)ethanol
  • 4-Benzyl-2-hydroxy-3-morpholinone

DownStream

Related Compounds

  • Aprepitant
  • Aprepitant
  • Aprepitant
  • Aprepitant
  • Aprepitant-d4
  • APREPITANT-M3
  • 2,2,2-trifluoroethyl N-(pyridin-4-yl)carbamate hydrochloride
  • 1-(Oxolan-3-yl)piperazin-2-one trifluoroacetic acid
  • 4-(2-Aminoethyl)-1H-1,2,4-triazol-5-one;hydrochloride
  • 1-(4-Methoxyphenyl)propane-1,3-diamine dihydrochloride
  • (3,4-dihydro-2H-pyran-6-yl)methanamine hydrochloride
  • 2-[(3-methoxyphenyl)methanesulfinyl]-1H-1,3-benzodiazol-6-amine dihydrochloride
  • 4H-Thieno[2,3-c]chromen-4-ylmethanamine;hydrochloride
  • 3-(aminomethyl)-N-(2,6-dioxopiperidin-3-yl)benzamide hydrochloride
  • 3-[(5-Azidopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid;hydrochloride
  • 3-(8-Methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline hydrochloride
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