17beta-Acetamidoandrost-4-en-3-one

Base Information

• Chemical Name: 17beta-Acetamidoandrost-4-en-3-one
• CAS No.: 1865-62-9
• Molecular Formula: C21H31NO2
• Molecular Weight: 329.4763
• NSC Number: 61701,7262
• UNII: 4PP75PKM6V
• DSSTox Substance ID: DTXSID30940102
• Nikkaji Number: J2.793.136G
• Wikidata: Q27148792

Synonyms:17 beta-acetamidoandrost-4-en-3-one

Chemical Property of 17beta-Acetamidoandrost-4-en-3-one

Chemical Property:

• Vapor Pressure: 6.78E-11mmHg at 25°C
• Boiling Point: 519.5°C at 760 mmHg
• Flash Point: 171.1°C
• Density: 1.11g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 329.235479232
• Heavy Atom Count: 24
• Complexity: 609

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: CC(=O)N[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Technology Process of 17beta-Acetamidoandrost-4-en-3-one

There total 12 articles about 17beta-Acetamidoandrost-4-en-3-one 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: 88.0%

N-((3S,8R,9S,10R,13S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-acetamide (3931-43-9,27508-62-9) → N-((8R,9S,10R,13S,17S)-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)-acetamide (1865-62-9,92472-21-4,113625-59-5)

Guidance literature:

With 3 A molecular sieve; pyridinium chlorochromate; In benzene; for 5h; Heating;

Reference yield:

20-hydroxyimino-4-pregnen-3-one → 17β-acetylamino-androst-4-en-3-one (1865-62-9)

Guidance literature:

With pyridine; trichlorophosphate;

Reference yield:

N-((3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12, 13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetamide (27508-62-9) → 17β-acetylamino-androst-4-en-3-one (1865-62-9)

Guidance literature:

With chromium(VI) oxide; bromine; acetic acid; weiteres Reagens: Zink;

upstream raw materials:

N-((3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12, 13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetamide

cyclohexanone

N-((8R,9S,10R,13S,14S,17S)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-acetamide

acetic anhydride

Downstream raw materials:

17β-acetamido-3-aza-A-homo-4α-androsten-4-one

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