19-Oxoandrostenedione

Base Information

• Chemical Name: 19-Oxoandrostenedione
• CAS No.: 968-49-0
• Molecular Formula: C19H24 O3
• Molecular Weight: 300.398
• NSC Number: 76985
• UNII: X07F7694NW
• DSSTox Substance ID: DTXSID00242509
• Nikkaji Number: J101.998H
• Wikidata: Q27105362
• Metabolomics Workbench ID: 35362
• Mol file: 968-49-0.mol

Synonyms:19-aldehydo-4-androstene-3,17-dione;19-keto-delta(4) androstene-3,17-dione;19-oxo-delta(4) androstene-3,17-dione;19-oxo-delta(4) androstene-3,17-dione, (18)O-labeled;19-oxoandrostenedione;4-androstene-3,17-dione-19-al

Chemical Property of 19-Oxoandrostenedione

Chemical Property:

• Vapor Pressure: 4.72E-09mmHg at 25°C
• Boiling Point: 471.3°Cat760mmHg
• Flash Point: 203.7°C
• PSA: 51.21000
• Density: 1.18g/cm³
• LogP: 3.26640
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 300.17254462
• Heavy Atom Count: 22
• Complexity: 590

Purity/Quality:

97% ^*data from raw suppliers

19-Aldoandrostenedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34C=O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34C=O

Technology Process of 19-Oxoandrostenedione

There total 4 articles about 19-Oxoandrostenedione 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:

Androstenedione (63-05-8) → 19-hydroxy-4-androstene-3,17-dione (510-64-5) + 19-oxoandrostenedione (968-49-0)

Guidance literature:

With Cumene hydroperoxide; 1-methyl-1H-imidazole; methanol; 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride; In dichloromethane; at 12 ℃; for 25h;

DOI:10.1016/S0040-4039(00)97030-8

Reference yield:

Androstenedione (63-05-8) → Estrone (53-16-7) + 19-hydroxy-4-androstene-3,17-dione (510-64-5) + 19-oxoandrostenedione (968-49-0)

Guidance literature:

With Cumene hydroperoxide; 1-methyl-1H-imidazole; 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride; In dichloromethane; at 12 ℃; for 25h;

DOI:10.1016/S0040-4039(00)97030-8

Reference yield:

19-hydroxy-4-androstene-3,17-dione (510-64-5) → Estrone (53-16-7) + 19-oxoandrostenedione (968-49-0)

Guidance literature:

With Cumene hydroperoxide; 1-methyl-1H-imidazole; 5,10,15,20-tetra(2',6'-dichlorophenyl)porphyrinatoiron(III) chloride; In dichloromethane; at 12 ℃; for 25h;

DOI:10.1016/S0040-4039(00)97030-8

upstream raw materials:

Androstenedione

19-hydroxy-4-androstene-3,17-dione

Downstream raw materials:

formic acid

Estrone

19-norandrost-4-ene-3,17-dione

10β-hydroxy-19-norandrost-4-ene-3,17-dione