[(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

  • 4,8,8-trimethyl-5-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-2-one
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)hex-4-enamide
  • N-(1-methyl-1H-indol-4-yl)-2-(4-oxoquinazolin-3(4H)-yl)acetamide
  • (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methyl-N-(4-methylthiazol-2-yl)hex-4-enamide
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