20-Oxopregnane-3,21-diyl diacetate

Base Information

• Chemical Name: 20-Oxopregnane-3,21-diyl diacetate
• CAS No.: 40129-02-0
• Molecular Formula: C25H38O5
• Molecular Weight: 418.5662
• NSC Number: 126127
• DSSTox Substance ID: DTXSID90298772
• Mol file: 40129-02-0.mol

Synonyms:40129-02-0;20-oxopregnane-3,21-diyl diacetate;NSC126127;DTXSID90298772;NSC-126127

Chemical Property of 20-Oxopregnane-3,21-diyl diacetate

Chemical Property:

• Vapor Pressure: 4.32E-10mmHg at 25°C
• Boiling Point: 499°Cat760mmHg
• Flash Point: 212.2°C
• Density: 1.12g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 418.27192431
• Heavy Atom Count: 30
• Complexity: 716

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C

Technology Process of 20-Oxopregnane-3,21-diyl diacetate

There total 23 articles about 20-Oxopregnane-3,21-diyl diacetate 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:

pregnenolone acetate (906-83-2) + acetic anhydride (108-24-7) → 3β,21-diacetoxy-5α-pregnan-20-one (40129-02-0)

Guidance literature:

With lead(IV) acetate; In acetic acid;

DOI:10.1021/jm00201a010

Reference yield:

Acetic acid (3S,5S,10S,13S,17S)-17-(2-bromomethyl-[1,3]dioxolan-2-yl)-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester → 3β,21-diacetoxy-5α-pregnan-20-one (40129-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. H₂SO₄ / acetic acid / Heating

2: dimethylformamide

With sulfuric acid; In acetic acid; N,N-dimethyl-formamide;

Reference yield:

21-acetoxypregnenolone (566-78-9) → 3β,21-diacetoxy-5α-pregnan-20-one (40129-02-0)

Guidance literature:

Multi-step reaction with 3 steps

1: ueber mehrere Stufen

2: SOCl₂

3: palladium/charcoal; acetic acid / Hydrogenation

With palladium on activated charcoal; thionyl chloride; acetic acid;

DOI:10.1021/jo01142a005

upstream raw materials:

formic acid

pregnanetetrol-(3,17,20,21)

monoperoxyphthalic acid

5α-pregnene-(17(20)t)-diol-(3β.21)