96685-52-8

Basic information

• Product Name: (+)-<1R,2'R,5R,6R,9R>-1-methyl-9-(6-methylhept-2-yl)-5-(phenylsulfonyl)bicyclo<4.3.0>nonane
• Synonyms: (+)-<1R,2'R,5R,6R,9R>-1-methyl-9-(6-methylhept-2-yl)-5-(phenylsulfonyl)bicyclo<4.3.0>nonane
• CAS NO: 96685-52-8
• Molecular Weight: 390.631
• Mol File: 96685-52-8.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: (+)-<1R,2'R,5R,6R,9R>-1-methyl-9-(6-methylhept-2-yl)-5-(phenylsulfonyl)bicyclo<4.3.0>nonane(CAS DataBase Reference)
• NIST Chemistry Reference: (+)-<1R,2'R,5R,6R,9R>-1-methyl-9-(6-methylhept-2-yl)-5-(phenylsulfonyl)bicyclo<4.3.0>nonane(96685-52-8)
• EPA Substance Registry System: (+)-<1R,2'R,5R,6R,9R>-1-methyl-9-(6-methylhept-2-yl)-5-(phenylsulfonyl)bicyclo<4.3.0>nonane(96685-52-8)

Safety Data

• Hazardous Substances Data: 96685-52-8(Hazardous Substances Data)

Upstream product

• 38066-16-9 diethyl [(phenylthio)methyl]phosphonate 
• 96843-35-5 (-)-(3a,4R,7aR)-5,5-(ethylenedioxy)-4-(4-methylpentyl)-3a,4,5,6,7,7a-hexahydro-7a-methylindan-1-one 
• 96843-36-6 (3aR,4R,7aR)-5,5-(ethylenedioxy)-1-<(phenylthio)methylene>-4-(4-methylpentyl)-3a,4,5,6,7,7a-hexahydro-7a-methylindan 
• 95511-30-1 (-)-(3aR,4R,7aR)-4-(4-methylpentyl)-3a,4,5,6,7,7a-hexahydro-7a-methylindan-1,5-dione 
• 96843-42-4 (-)-<1(S)-methyl-2(S)-((phenylsulfonyl)methyl)-5(R)-(1(S)-((tosyloxy)methyl)-5-methylhexyl)cyclopentyl>acetaldehyde ethylene acetal 
• 96843-40-2 (+)-6-methyl-2(R)-<2-((2,5-dioxacyclopentyl)methyl)-2(S)-methyl-3(S)-((phenylsulfonyl)methyl)-1(R)-cyclopentyl>heptanoic acid 
• 96843-41-3 (+)-<1(S)-methyl-2(S)-((phenylsulfonyl)methyl)-5(R)-(1(S)-(hydroxymethyl)-5-methylhexyl)cyclopentyl>acetaldehyde ethylene acetal 
• 105764-33-8 (R)-2-[(1R,2R,3R)-3-Benzenesulfonylmethyl-2-methyl-2-(2-oxo-ethyl)-cyclopentyl]-6-methyl-heptanoic acid 
• 96843-39-9 (-)-(1S,3aR,4R,7aS)-5-acetoxy-1-<(phenylsulfonyl)methyl>-4-(4-methylpentyl)-3a,4,7,7a-tetrahydro-7a-methylindan 
• 96843-43-5 (-)-<1(S)-methyl-2(S)-((phenylsulfonyl)methyl)-5(R)-(1(R),5-dimethylhexyl)cyclopentyl>acetaldehyde ethylene acetal 
• 96843-37-7 C₂₅H₃₆O₄S 
• 96843-38-8 (-)-(1S,3aR,4R,7aS)-1-<(phenylsulfonyl)methyl>-4-(4-methylpentyl)-3a,4,5,6,7,7a-hexahydro-7a-methylindan-5-one 
• 96685-47-1 (3R,3aR,7R,7aR)-7-Benzenesulfonyl-3-((R)-1,5-dimethyl-hexyl)-3a-methyl-octahydro-inden-5-ol 
• 96685-47-1 (3R,3aR,7R,7aR)-7-Benzenesulfonyl-3-(1,5-dimethyl-hexyl)-3a-methyl-octahydro-inden-5-ol 

Downstream Products

• 67-97-0 vitamin D₃ 
• 87649-55-6 tert-Butyl-{(S)-3-[2-[(1R,3aS,7aR)-1-(1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyloxy}-dimethyl-silane 
• 67-97-0 vitamin D₃ 
• 1183-41-1 vitamin D₃ 3,5-dinitrobenzoate 
• 87649-56-7 tert-Butyl-{(S)-3-[2-[(1R,3aS,7aR)-1-((R)-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-eth-(Z)-ylidene]-4-methylene-cyclohexyloxy}-dimethyl-silane 
• 96685-54-0 Acetic acid 1-[(1R,3aR,7aR)-4-benzenesulfonyl-1-(1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl]-2-[(S)-5-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-ethyl ester 
• 96685-54-0 Acetic acid 1-[(1R,3aR,7aR)-4-benzenesulfonyl-1-((R)-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-yl]-2-[5-(tert-butyl-dimethyl-silanyloxy)-2-methylene-cyclohex-(Z)-ylidene]-ethyl ester 
• 66251-18-1 Grundmann's ketone 

Relevant articles and documents

Vitamin D3 synthetic studies. Intramolecular Diels-Alder approaches to the CD-ring fragment

The enantiospecific synthesis of the vitamin D3 CD ring fragment 3 is reported. Key steps are the diastereoselective allylation of a norephedrine/dihydrocitronellic acid-derived oxazolidinone, and the intramolecular Diels-Alder reaction of a sulfonyl-substituted dienyne. The analogous cycloaddition reaction of a trienylsulfone substrate is shown to give products having the incorrect stereochemistry for vitamin D3 synthesis.

Vitamin-D3-Synthesestudien: enantiospezifische Synthese des CD-Ring-Fragmentes von Vitamin D3

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A GENERAL METHOD FOR THE STEREOSELECTIVE CONSTRUCTION OF DES-AB-CHOLESTANES. A FIRST TOTAL SYNTHESIS OF (+)-8α-PHENYLSULFONYL-DES-AB-CHOLESTANE

(+)-8α-Phenylsulfonyl-des-AB-cholestane, a potential intermediate of vitamin D3, was stereoselectively synthesized from (-)-indanone derivative possessing the required chiralities, at the C13, C14, C17, and C20