21072-85-5

Basic information

• Product Name: (5S,10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one
• CAS NO: 21072-85-5
• Molecular Weight: 421.107
• Mol File: 21072-85-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (5S,10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one(CAS DataBase Reference)
• NIST Chemistry Reference: (5S,10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one(21072-85-5)
• EPA Substance Registry System: (5S,10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one(21072-85-5)

Safety Data

• Hazardous Substances Data: 21072-85-5(Hazardous Substances Data)

Upstream product

• 7768-88-9 (10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-6-one oxime 
• 6217-29-4 (10R,13R,17R)-3-Chloro-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-6-nitro-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene 
• 13095-30-2 3β-chloro-5,6α-epoxy-5α-cholestane 

Downstream Products

• 21072-86-6 3α-chloro-5α-cholestan-6-one 

Relevant articles and documents

REACTION OF 5,6α-EPOXY-5α-CHOLESTANE AND 5,6α-EPOXY-5α-STIGMASTANE WITH BF3:ETHERATE

Reaction of 3β-chloro-5,6α-epoxy-5α-cholestane (1) with BF3:etherate afforded 3β-chloro-5α-cholestan-6-one (3), 3β-chloro-5β,14β-dimethyl-18,19-bisnor-10α-cholest-13(17)-en-6α-ol (4), 3β-chloro-5β-methyl-19-nor-cholest-9(10)-en-6α-ol (5) and 3β-chloro-6β-fluoro-5α-cholestan-5α-ol (6).On similar treatment 3β-acetoxy-5,6α-epoxy-5α-stigmastane (2) gave 3β-acetoxy-5α-stigmastan-6-one (7), 3β-acetoxy-5β,14β-dimethyl-18,19-bisnor-10α-stigmast-13(17)-en-6α-ol (8), 3β-acetoxy-5β-methyl-19-nor-stigmast-9(10)-en-6α-ol (9) and 3β-acetoxy-6β-fluoro-5α-stigmast-5α-ol (10).Compounds 4 and 8 and 5 and 9 were formed via "backbone" and Westphalen rearrangements.The structures of these compounds were established on the basis of spectral data and by comparison with authentic samples.