Cortexolone 17-acetate

Base Information

• Chemical Name: Cortexolone 17-acetate
• CAS No.: 19357-45-0
• Deprecated CAS: 478614-22-1
• Molecular Formula: C23H32 O5
• Molecular Weight: 388.504
• European Community (EC) Number: 242-991-4
• DSSTox Substance ID: DTXSID10172964
• Nikkaji Number: J242.783D
• Wikidata: Q83043051
• Mol file: 19357-45-0.mol

Synonyms:Cortexolone 17-acetate;19357-45-0;17,21-Dihydroxypregn-4-ene-3,20-dione 17-acetate;[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;EINECS 242-991-4;SCHEMBL6565022;DTXSID10172964;AKOS032430031;NS00026307

Chemical Property of Cortexolone 17-acetate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 528.304°C at 760 mmHg
• Flash Point: 177.887°C
• PSA: 80.67000
• Density: 1.209g/cm³
• LogP: 3.38160
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 388.22497412
• Heavy Atom Count: 28
• Complexity: 754

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CO
• Isomeric SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)CO

Technology Process of Cortexolone 17-acetate

There total 3 articles about Cortexolone 17-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:

17,21-diacetoxy-4-pregnene-3,20-dione (1807-15-4) → 17α,21-dihydroxy-4-pregnene-3,20-dione 17-acetate (19357-45-0)

Guidance literature:

Candida cylandracea lipase; In toluene; butan-1-ol; at 30 ℃; for 24h;

DOI:10.1016/j.tetlet.2008.05.086

Reference yield:

→ 17α-acetate of cortexolone (19357-45-0)

Guidance literature:

Ethylidenverb. 1;

Reference yield:

→ 17,21-dihydroxypregn-4-ene-3,20-dione 17-acetate (19357-45-0)

Guidance literature:

Entspr. 17,21-Methylorthoacetat, Eg., Na-Acetat;

upstream raw materials:

17,21-diacetoxy-4-pregnene-3,20-dione

Downstream raw materials:

Cortisol-17α-monoacetat

Acetic acid (10R,13S,14R,17R)-14-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

Acetic acid (10R,11R,13S,17R)-11-hydroxy-17-(2-hydroxy-acetyl)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

cortexolone 21-acetate

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