5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate

Base Information

• Chemical Name: 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate
• CAS No.: 1258-07-7
• Molecular Formula: C29H47 Br O3
• Molecular Weight: 523.594
• DSSTox Substance ID: DTXSID30925272
• Nikkaji Number: J130.300G
• Wikidata: Q82899563
• Mol file: 1258-07-7.mol

Synonyms:5 alpha-bromo-6,19-epoxycholestan-3 beta-ol acetate

Chemical Property of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate

Chemical Property:

• Vapor Pressure: 5.23E-12mmHg at 25°C
• Melting Point: 146-147 °C(Solv: ethyl ether (60-29-7); methanol (67-56-1))
• Boiling Point: 546.7°Cat760mmHg
• Flash Point: 284.5°C
• Density: 1.19g/cm³
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 522.27086
• Heavy Atom Count: 33
• Complexity: 753

Purity/Quality:

99% ^*data from raw suppliers

5α-Bromo-6,19-epoxycholestanol3-Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)OC(=O)C)CO4)Br)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@@H](C5)OC(=O)C)CO4)Br)C
• Uses: Intermediate in the chemical synthesis of cholesterol derivatives, and substrate for producing androsterone derivatives via bacterial steroid biotransformation.

Technology Process of 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate

There total 12 articles about 5alpha-Bromo-6,19-epoxycholestan-3beta-ol acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5-bromo-6-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (1258-35-1) → (3S,5R,6R,8S,9S,10R,13R,14S,17R)-5-bromo-13-methyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-6,10-(epoxymethano)cyclopenta[a]phenanthren-3-yl acetate (1258-07-7)

Guidance literature:

With iodine; lead(IV) tetraacetate; In benzene; for 0.5h; Reflux;

DOI:10.1016/j.tetlet.2016.07.067

Reference yield: 59.0%

19-(mesyloxy)-cholesteryl acetate (23712-51-8) → Acetic acid (5R,6S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10-methanesulfonyloxymethyl-13-methyl-hexadecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-3-yl ester (90361-52-7) + C29H47BrO3 (1258-07-7,14908-13-5)

Guidance literature:

With perchloric acid; N-bromoacetamide; In 1,4-dioxane; water; Product distribution;

Reference yield: 42.0%

(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5-bromo-6-hydroxy-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (1258-35-1) → (3S,5R,6R,8S,9S,10R,13R,14S,17R)-5-bromo-13-methyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-6,10-(epoxymethano)cyclopenta[a]phenanthren-3-yl acetate (1258-07-7) + 5,6-β-epoxycholesteryl acetate (1256-31-1)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iodine; Sonication;

DOI:10.1016/j.tetlet.2016.07.067

upstream raw materials:

3β-acetoxy-19-methoxymethyloxycholestan-Δ⁵-ene

19-(mesyloxy)-cholesteryl acetate

acetic anhydride

5-bromo-6β,19-epoxy-5α-cholestan-3α-ol

Downstream raw materials:

3β-acetoxycholest-5-en-19-ol

Acetic acid (3S,5R,6S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-3-yl ester

19-hydroxycholesterol

5α,6α-epoxycholestan-3β-ol

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