65207-26-3

Basic information

• Product Name: 3-Iodo-benzoic acid (3R,9S,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
• CAS NO: 65207-26-3
• Molecular Weight: 618.682
• Mol File: 65207-26-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-Iodo-benzoic acid (3R,9S,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Iodo-benzoic acid (3R,9S,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester(65207-26-3)
• EPA Substance Registry System: 3-Iodo-benzoic acid (3R,9S,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester(65207-26-3)

Safety Data

• Hazardous Substances Data: 65207-26-3(Hazardous Substances Data)

Upstream product

• 1711-10-0 3-iodobenzoyl chloride 
• 80-97-7 Cholestanol 

Downstream Products

• 136824-05-0 3-Iodo-benzoic acid (3R,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl ester 
• 136824-04-9 3-Iodo-benzoic acid (3R,9R,10S,13R,17R)-9-bromo-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 
• 136824-06-1 3-Iodo-benzoic acid (3R,9R,10S,13R,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-9-thiocyanato-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 

Relevant articles and documents

The Regio- and Stereoselectivity of Radical Chlorination of Cycloalkanes with Different Halogen Carriers and Host-Guest Complexes

The reaction of trans-1,4-dimethylcyclohexane (1) with (dichloroiodo)benzene (D), with most of the p-substituted D-derivatives, and with chlorine in carbon disulfide shows a regioselectivity of Rts ca. 10; reactions with o-substituted D-compounds or with D (R=H) in acetic acid or water show appreciable conversion, but lower selectivities of Rts ca. 5.Tertiary cyclohexyl radicals are chlorinated preferentially from the axial side with D (R=H); ortho-substituents in D, or replacement of CCl4 by CS2 or benzene lead to lower stereoselectivities.Chlorinations with iodophenyl derivatives, which are bound to a steroid matrix, exhibit no significant change in regioselectivity; the same is observed for reactions with chlorine in the presence of newly synthesized macrocyclic azacyclophane salts in water, although these form inclusion complexes with the hydrocarbons used and inhibit the hydrolysis of chlorides obtained from tetralin. α-Cyclodextrin, however, leads by selective complexation of 1 to selective chlorination of the primary C-H bonds.Syntheses and 13C NMR shifts of the azacyclophanes are described.