3-Hydroxy-cholest-5-en-7-one benzoate

Base Information

• Chemical Name: 3-Hydroxy-cholest-5-en-7-one benzoate
• CAS No.: 6997-41-7
• Molecular Formula: C34H48O3
• Molecular Weight: 504.753
• Mol file: 6997-41-7.mol

Synonyms:[(3S,8S,9S,10R,13R,14S)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate;

Chemical Property of 3-Hydroxy-cholest-5-en-7-one benzoate

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 159-160 °C
• Refractive Index: 1.552
• Boiling Point: 596.285 °C at 760 mmHg
• Flash Point: 247.417 °C
• PSA: 43.37000
• Density: 1.078 g/cm³
• LogP: 8.43240
• Solubility.: Chloroform (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

3b-(Benzoyloxy)cholest-5-en-7-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Hydroxy-cholest-5-en-7-one benzoate

There total 14 articles about 3-Hydroxy-cholest-5-en-7-one benzoate 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: 98.0%

cholesteryl benzoate (604-32-0) → 3β-benzoyloxy-cholest-5-en-7-one (6997-41-7)

Guidance literature:

With tert.-butylhydroperoxide; bis(acetylacetonato) oxovanadium(IV); In benzene; at 20 ℃; for 120h; Inert atmosphere;

DOI:10.1016/j.steroids.2015.06.005

Reference yield: 55.0%

benzyl 3-cholesteryl ether (7278-60-6) → 3β-benzoyloxy-cholest-5-en-7-one (6997-41-7)

Guidance literature:

With potassium carbonate; 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one; In benzene; for 96h; Ambient temperature;

DOI:10.1021/ja9610287

Reference yield: 46.0%

7-Oxocholesterol (566-28-9) + benzoic acid (65-85-0,8013-63-6) → 3β-benzoyloxy-cholest-5-en-7-one (6997-41-7)

Guidance literature:

benzoic acid; With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 0.25h; Inert atmosphere;

7-Oxocholesterol; In dichloromethane; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/jacs.7b00335

upstream raw materials:

3β-benzoyloxy-6-bromo-cholest-5-en-7-one

cholesteryl benzoate

cholesterol

benzoyl chloride

Downstream raw materials:

3β-benzoyloxy-5,6α-epoxy-5α-cholestan-7-one

3β-benzoyloxy-4ξ-bromo-cholest-5-en-7-one

3β,7α-cholest-5-ene-3,7-diol-3-benzoate

3β,7β-cholest-5-ene-3,7-diol-3-benzoate