(R,E)-4-((1R,3As,7Ar,E)-4-((E)-2-((3S,5R)-3,5-Bis(Tert-Butyldimethylsilyloxy)-2-Methylenecyclohexylidene)Ethylidene)-7A-Methyloctahydro-1H-Inden-1-Yl)-1-Cyclopropylpent-2-En-1-One

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Names

[ CAS No. ]:
112849-17-9

[ Name ]:
(R,E)-4-((1R,3As,7Ar,E)-4-((E)-2-((3S,5R)-3,5-Bis(Tert-Butyldimethylsilyloxy)-2-Methylenecyclohexylidene)Ethylidene)-7A-Methyloctahydro-1H-Inden-1-Yl)-1-Cyclopropylpent-2-En-1-One

[Synonym ]:
2-Penten-1-one, 4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-, (2E,4R)-
(1S,3R,5E,7E,22E)-1,3-Bis{[dimethyl(2-methyl-2-propanyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one
20(R),1(S),3(R)-bis(tert-butyldimethylsilyloxy)-20-(3'-cyclopropyl-3'-oxoprop-1'(E)-enyl)-9,10-secopregna-5(E),7(E),10(19)-triene
(1S,3R,5E,7E,22E)-1,3-Bis{[tert-butyl(dimethyl)silyl]oxy}-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraen-24-one
(1a,3b,5E,7E,22E)-24-Cyclopropyl-1,3-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-9,10-secochola-5,7,10(19),22-tetraen-24-one
1(S),3(R).20(R)-BIS(TERT-BUTYLDIMETHYLSILYLOXY)-20-(3'-CYCLOPROPYL-3'-OXYPROP-1'(E)-ENYL)-9,10-SECOPREGNA-5(E),10(19)TRIENE
(5E)-1,3-Bis-O-(tert-Butyldimethylsilyl)-24-oxo-calcipotriene
(R,E)-4-((1R,3aS,7aR,E)-4-((E)-2-((3S,5R)-3,5-bis(tert-butyldiMethylsilyloxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)-1-cyclopropylpent-2-en-1-one
2-Penten-1-one,4-[(1R,3aS,4E,7aR)-4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]octahydro-7a-methyl-1H-inden-1-yl]-1-cyclopropyl-,(2E,4R)
(1S,3R,20R)-bis(tert-butyldimethylsilyloxy)-20-(3'-cyclopropyl-3'-oxyprop-1'(E)-enyl)-9,10-secopregna-5(E),7(E),10(19)-triene

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
628.2±55.0 °C at 760 mmHg

[ Molecular Formula ]:
C39H66O3Si2

[ Molecular Weight ]:
639.110

[ Flash Point ]:
277.1±27.0 °C

[ Exact Mass ]:
638.455078

[ PSA ]:
35.53000

[ LogP ]:
12.08

[ Vapour Pressure ]:
0.0±1.8 mmHg at 25°C

[ Index of Refraction ]:
1.512

Synthetic Route

Precursor & DownStream

Precursor

  • 1-cyclopropyl-2-diethoxyphosphorylethanone
  • (1S,3R,5E,7E)-1,3-Bis-[(tert-butyldimethylsilyl)oxy]-9,10-secopregna-5,7,10-triene-20-carboxaldehyde
  • 1-Cyclopropylethanone
  • tert-Butyldimethylsilyl chloride
  • Vitamin D2 SO2 Adduct
  • (7Z)-Vitamin D2
  • (S)-2-((1R,3aS,7aR,E)-4-((E)-2-((S)-5-((tert-butyldimethylsilyl)oxy)-2-Methylenecyclohexylidene)ethylidene)-7a-Methyloctahydro-1H-inden-1-yl)propanal
  • 20(R),3(R)-(tert-butyldimethylsilyloxy)-20-(3'-cyclopropyl-3'-oxoprop-1'(E)-enyl)-9,10-secopregna-5(Z),7(E),10(19)-triene
  • 3(S)-tert-butyldimethylsilyloxy-20(S)-formyl-9,10-secoprega-5,7(E),10(19)-triene
  • 3(S)-tert-butyldimethylsilyloxy-20(S)-formyl-9,10-secoprega-5,7(E),10(19)-triene

DownStream

  • (5E,24R)-1,3-Bis-O-(tert-Butyldimethylsilyl)-calcipotriene
  • Bis-TBDMS-trans-calcipotriol
  • Calcipotriene
  • Impurity F of Calcipotriol