tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Names

[ CAS No. ]:
142580-65-2

[ Name ]:
tert-butyl N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Chemical & Physical Properties

[ Density]:
1.082g/cm3

[ Boiling Point ]:
680.5ºC at 760mmHg

[ Molecular Formula ]:
C29H47N3O4

[ Molecular Weight ]:
501.70100

[ Flash Point ]:
365.4ºC

[ Exact Mass ]:
501.35700

[ PSA ]:
97.88000

[ LogP ]:
5.26130

[ Vapour Pressure ]:
1.88E-19mmHg at 25°C

[ Index of Refraction ]:
1.528

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (2R,3S)-3-(tert-Butoxycarbonyl)aMino-1,2-epoxy-4-phenylbutane
  • N-(TERT-BUTYL)DECAHYDRO-3-ISOQUINOLINECARBOXAMIDE
  • Di-tert-butyl dicarbonate
  • (4S,5S)-4-benzyl-5-benzyloxymethyl-1,3-oxazolidin-2-one
  • (3S,4AS,8AS)-2-(TERT-BUTOXYCARBONYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
  • TERT-BUTYL [(1S,2S)-1-BENZYL-2,3-DIHYDROXYPROPYL]CARBAMATE
  • Boc-L-phenylalanine

DownStream

  • (3S,4aS,8aS)-2-[(3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
  • Saquinavir
  • benzyl N-[(2S)-1-[[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]carbamate