[(1S,3R,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate

Names

[ CAS No. ]:
123852-10-8

[ Name ]:
[(1S,3R,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate

[Synonym ]:
4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy Simvastatin
2,2-Dimethylbutanoic Acid [1S-[1|A,3|A,4|A,4a|A,7|A,8|A(2S*,4S*)]]-4-Chloro-8-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3,7-dimethyl-1-naphthalenyl Ester

Chemical & Physical Properties

[ Density]:
1.09g/cm3

[ Boiling Point ]:
618.9ºC at 760 mmHg

[ Molecular Formula ]:
C31H53ClO6Si

[ Molecular Weight ]:
585.28700

[ Flash Point ]:
328.1ºC

[ Exact Mass ]:
584.33000

[ PSA ]:
82.06000

[ LogP ]:
7.02720

[ Vapour Pressure ]:
6.55E-18mmHg at 25°C

[ Index of Refraction ]:
1.51

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Simvastatin
  • tert-Butyldimethylsilyl chloride
  • 6(R)-[2-[8(S)-((2,2-Dimethylbutyryl)oxy)-2(S),6(R)-dimethyl-1,2,6,7,8,8a(R)-hexahydronaphth-1(S)-yl]ethyl]-4(R)-((tert-butyldimethylsilyl)oxy)-3,4,5,6-tetrahydro-2H-pyran-2-one

DownStream

  • 4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin
  • 6'-HYDROXYMETHYL SIMVASTATIN

Related Compounds

  • 8-Fluoro-6-methylquinoline-3-carboxylic acid
  • Methyl 4-chloro-8-fluoro-6-methylquinoline-3-carboxylate
  • Methyl 2-methoxythieno[2,3-d][1,3]thiazole-5-carboxylate
  • Ethyl 4-fluoro-8-methoxy-3-methylquinoline-2-carboxylate
  • Ethyl 4-bromo-8-methoxy-3-methylquinoline-2-carboxylate
  • tert-butyl N-[2-(4-methylbenzoyl)furan-3-yl]carbamate
  • 4-ethynyl-1,3-dimethyl-1H-pyrazol-5-amine
  • 4-Ethynyl-3-methyl-1,2-oxazol-5-amine
  • [5-(Methylsulfanyl)-1,3,4-thiadiazol-2-yl]methanamine
  • 2-(5-Methylthiophen-2-yl)pyridin-3-amine
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