514-50-1

Basic information

• Product Name: Acebrochol
• Synonyms: Acebrochol;[(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;[(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate;acetic acid [(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester;Cholesteryl Acetate DibroMide;Cholesteryl Acetate DibroMide (Mixture of DiastereoMers)
• CAS NO: 514-50-1
• Molecular Formula: C₂₉H₄₈Br₂O₂
• Molecular Weight: 588.504
• Product Categories: Pharmaceuticals, Intermediates & Fine Chemicals, Steroids
• Mol File: 514-50-1.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 545.8°Cat760mmHg
• Flash Point: 283.9°C
• Appearance: /
• Density: 1.27g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.54
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: Acebrochol(CAS DataBase Reference)
• NIST Chemistry Reference: Acebrochol(514-50-1)
• EPA Substance Registry System: Acebrochol(514-50-1)

Safety Data

• Hazardous Substances Data: 514-50-1(Hazardous Substances Data)

Usage

Uses

Cholesteryl Acetate Dibromide is an brominated intermediate in the synthesis of Cholesterol (C432501) derivatives.

InChI:InChI=1/C29H48Br2O2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(31)17-21(33-20(4)32)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22?,23-,24?,25?,26-,27-,28-,29+/m1/s1

Upstream product

• 1857-80-3 5α,6β-dibromocholestan-3β-ol 
• 75-36-5 acetyl chloride 
• 604-35-3 Cholesteryl acetate 
• 79-15-2 N-bromoacetamide 
• 75-15-0 carbon disulfide 
• 7726-95-6 bromine 
• 64-19-7 acetic acid 
• 60-29-7 diethyl ether 
• 107-06-2 1,2-dichloro-ethane 
• 57-88-5 cholesterol 
• 57-88-5 cholesterol 
• 67-56-1 methanol 

Downstream Products

• 604-35-3 Cholesteryl acetate 
• 31823-53-7 methyl 3β-acetoxychol-5-en-24-oate 
• 13223-89-7 3β-(toluene-4-sulfonyloxy)-chol-5-en-24-oic acid methyl ester 
• 60894-43-1 3β-trityloxy-cholen-(5)-oic acid-(24)-methyl ester 
• 983-28-8 3β-acetoxy-17-(2-carbamoylhydrazono)-5-androstene 
• 1474-14-2 3β-acetoxybisnor-5-cholenic acid 
• 34751-25-2 3β-acetoxy-24-nor-chol-5-en-23-oic acid 
• 35882-85-0 26,27-dinorergost-5-ene-3β,24-diol 
• 20231-57-6 methyl 5-cholenoate 
• 10525-22-1 25-hydroxycholesteryl acetate 
• 19462-13-6 3β-acetoxy-5-cholenic acid 
• 7494-34-0 27-nor-5-cholesten-3β-ol-25-one 
• 1420-49-1 androsta-3,5-diene-7,17-dione 
• 85541-82-8 methyl 5-androsten-3β-ol-17β-carboxylate 

Relevant articles and documents

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Halocarbocyclization versus dihalogenation: Substituent directed iodine(iii) catalyzed halogenations

The nucleophilicity of the substituents in iodobenzene pre-catalysts have a huge impact on product selectivity in iodine(iii) triggered halogenations, steering the reactivity from solely carbocyclizations towards dihalogenations. Utilizing this catalyst-dependent reactivity a diastereo- and chemoselective dihalogenation method was established allowing the conversion of structurally and electronically diverse unsaturated compounds in excellent yields.

Oxidation of Natural Targets by Dioxiranes. 2. Direct Hydroxylation at the Side-Chain C-25 of Cholestane Derivatives and of Vitamin D3 Windaus-Grundmann Ketone

The direct, high-yield oxyfunctionalization of the side-chain C-25 of 5α-cholestan-3-one, 3β-acetoxy-5α-cholestane, and 5α,6β-Br2-3β-acetoxycholestane as well as of the vitamin D3-derived Windaus-Grundmann ketone has been achieved under mild conditions employing either dimethyldioxirane or its trifluoromethyl analogue.