81917-14-8

Basic information

• Product Name: 4-Methyl-benzenesulfinic acid (3S,3aS,5aS,6R,9aS,9bS)-6-but-3-ynyl-3a,6-dimethyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-3-yl ester
• CAS NO: 81917-14-8
• Molecular Weight: 426.62
• Mol File: 81917-14-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-Methyl-benzenesulfinic acid (3S,3aS,5aS,6R,9aS,9bS)-6-but-3-ynyl-3a,6-dimethyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-3-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Methyl-benzenesulfinic acid (3S,3aS,5aS,6R,9aS,9bS)-6-but-3-ynyl-3a,6-dimethyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-3-yl ester(81917-14-8)
• EPA Substance Registry System: 4-Methyl-benzenesulfinic acid (3S,3aS,5aS,6R,9aS,9bS)-6-but-3-ynyl-3a,6-dimethyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-3-yl ester(81917-14-8)

Safety Data

• Hazardous Substances Data: 81917-14-8(Hazardous Substances Data)

Upstream product

• 10439-23-3 4-methylbenzenesulfinyl chloride 
• 17541-44-5 17β-hydroxy-5-oxo-4,5-seco-androst-3-yne 
• 51154-10-0 17β-hydroxy-4ξ,5-oxido-5ξ-androstan-3-one 
• 1576-35-8 toluene-4-sulfonic acid hydrazide 
• 64-19-7 acetic acid 

Relevant articles and documents

A Mild and Efficient Degradation of Ring A of Steroids

17-β-acetoxy-4,5-secoandrost-3-yn-5-one and 4,5-secopregn-3-yne-5,20-dione, readily available by Eschenmoser-Tanabe fragmentaton, have been rearranged to corresponding 2-ynes, which were cleaved to afford 2,5-seco-3,4-dinor-derivatives in excellent overall yield.The release of toluene-p-sulphinic acid during the fragmentation step can lead to the acetylation sulphinylation of an extraneous hydroxy-group.The active sulphinylating species is evidently p-tolyl toluene-p-sulphinyl sulphone.