17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate

Base Information

• Chemical Name: 17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate
• CAS No.: 6947-46-2
• Molecular Formula: C₂₂H₃₂O₃S
• Molecular Weight: 376.56
• Nikkaji Number: J2.791.422E
• Wikidata: Q27148580
• Mol file: 6947-46-2.mol

Synonyms:17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate;S-[(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] propanethioate;CHEBI:79497;Q27148580;S-(17beta-Hydroxy-3-oxoandrost-4-en-7alpha-yl)propanethioate

Chemical Property of 17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate

Chemical Property:

• Vapor Pressure: 3.21E-13mmHg at 25°C
• Boiling Point: 525.1°Cat760mmHg
• Flash Point: 271.4°C
• Density: 1.18g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 376.20721605
• Heavy Atom Count: 26
• Complexity: 656

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)O)C
• Isomeric SMILES: CCC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O)C

Technology Process of 17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate

There total 1 articles about 17beta-Hydroxy-7alpha-mercaptoandrost-4-en-3-one 7-propionate 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:

thiopropionic acid (1892-31-5) + 6-dehydrotestosterone (3591-23-9,3593-33-7,4030-88-0,4223-57-8,2484-30-2) → 17β-hydroxy-7α-propionylmercapto-androst-4-en-3-one (6947-46-2)

Guidance literature:

DOI:10.1021/ja01514a052

upstream raw materials:

thiopropionic acid

6-dehydrotestosterone