3-Oxopregn-4-ene-21,17-carbolactone

Base Information

• Chemical Name: 3-Oxopregn-4-ene-21,17-carbolactone
• CAS No.: 801-37-6
• Molecular Formula: C22H30O3
• Molecular Weight: 342.478
• European Community (EC) Number: 212-351-9
• DSSTox Substance ID: DTXSID601185138
• Nikkaji Number: J193.183K
• Mol file: 801-37-6.mol

Synonyms:3-Oxopregn-4-ene-21,17-carbolactone;801-37-6;EINECS 212-351-9;DTXSID601185138;(8R,9S,10R,13S,14S,17S)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione;17-Hydroxy-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone;Pregn-4-ene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone

Chemical Property of 3-Oxopregn-4-ene-21,17-carbolactone

Chemical Property:

• Vapor Pressure: 5.01E-11mmHg at 25°C
• Boiling Point: 522.8°C at 760 mmHg
• Flash Point: 229°C
• Density: 1.17g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 342.21949481
• Heavy Atom Count: 25
• Complexity: 679

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC45CCC(=O)O5)C
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]45CCC(=O)O5)C

Technology Process of 3-Oxopregn-4-ene-21,17-carbolactone

There total 5 articles about 3-Oxopregn-4-ene-21,17-carbolactone 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:

C23H30O5 → C22H30O3 (801-37-6,976-70-5,113775-50-1)

Guidance literature:

In water; dimethyl sulfoxide; at 150 ℃; for 3h; Solvent; Temperature;

Reference yield:

C22H32O2 → C22H30O3 (801-37-6,976-70-5,113775-50-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethanolate / ethanol / 6 h / 30 °C

2: water; dimethyl sulfoxide / 3 h / 150 °C

With sodium ethanolate; In ethanol; water; dimethyl sulfoxide;

Reference yield:

→ C22H30O3 (801-37-6,976-70-5,113775-50-1)

Guidance literature:

Epoxid 7, n-Butyl-lithium, Eg.;

DOI:10.1021/jo00977a013

Downstream raw materials:

Canrenone

Refernces

• 1、 Creger. "Metalated carboxylic acids. IV. Reactions of metalated carboxylic acids with epoxides. Substituted steroidal spiro gamma-lactones from spiro beta-epoxides.". . p. 1907 - 1918. Retrieved 2007/10/05.