[(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate

Names

[ CAS No. ]:
101859-07-8

[ Name ]:
[(2S,3R,5aS,9aR)-3-hydroxy-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]oxepin-2-yl]methyl 2,4-dichlorobenzoate

[Synonym ]:
Benzoic acid,2,4-dichloro-,(decahydro-3-hydroxy-1-benzoxepin-2-yl)methyl ester,(2alpha,3beta,5aalpha,9abeta)
(1R*,3S*,4R*,7S*)-3-{[(2,4-dichlorobenzoyl)oxy]-methyl}-2-oxabicyclo[5.4.0.]undecan-4-ol

Chemical & Physical Properties

[ Density]:
1.28g/cm3

[ Boiling Point ]:
501.4ºC at 760mmHg

[ Molecular Formula ]:
C18H22Cl2O4

[ Molecular Weight ]:
373.27100

[ Flash Point ]:
257ºC

[ Exact Mass ]:
372.09000

[ PSA ]:
55.76000

[ LogP ]:
4.24890

[ Vapour Pressure ]:
7.11E-11mmHg at 25°C

[ Index of Refraction ]:
1.552

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • [(2S)-2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-yl]-2-iodoethyl] 2,4-dichlorobenzoate
  • N,N-Dimethylformamide
  • Cyclohexene oxide
  • syn-2-(but-3-enyl)cyclohexanol
  • 1-bromo-4-[[(1R,2S)-2-but-3-enylcyclohexyl]oxymethyl]benzene
  • 3-[(1S,2R)-2-[(4-bromophenyl)methoxy]cyclohexyl]propanal
  • (E)-5-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]pent-2-en-1-ol
  • methyl (Z)-5-[(1R,2S)-2-[(4-bromophenyl)methoxy]cyclohexyl]pent-2-enoate
  • 1-[[(1R,2S)-2-but-3-enylcyclohexyl]oxy-(4-chlorophenyl)methyl]-4-chlorobenzene
  • 3-[(1S,2R)-2-[bis(4-chlorophenyl)methoxy]cyclohexyl]propanal

DownStream