6beta-Hydroxyestr-4-ene-3,17-dione

Base Information

• Chemical Name: 6beta-Hydroxyestr-4-ene-3,17-dione
• CAS No.: 5949-49-5
• Molecular Formula: C18H24O3
• Molecular Weight: 288.3814
• DSSTox Substance ID: DTXSID00974893
• Nikkaji Number: J398.385D
• Wikidata: Q82959356
• Mol file: 5949-49-5.mol

Synonyms:6 beta-hydroxyestr-4-ene-3,17-dione

Chemical Property of 6beta-Hydroxyestr-4-ene-3,17-dione

Chemical Property:

• Vapor Pressure: 2.13E-11mmHg at 25°C
• Boiling Point: 484°Cat760mmHg
• Flash Point: 260.6°C
• Density: 1.21g/cm³
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 288.17254462
• Heavy Atom Count: 21
• Complexity: 535

Purity/Quality:

>95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C4CCC(=O)C=C4C(CC3C1CCC2=O)O
• Isomeric SMILES: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CCC2=O)O

Technology Process of 6beta-Hydroxyestr-4-ene-3,17-dione

There total 8 articles about 6beta-Hydroxyestr-4-ene-3,17-dione 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: 24.0%

3-acetoxy-19-nor-androsta-3,5-dien-17-one (70286-48-5) → 6β-hydroxy-19-norandrostenedione (5949-49-5) + 3,17-Dioxo-19-nor-androst-4-en-6α-ol (38632-03-0)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In tetrahydrofuran; water; at 0 - 20 ℃; for 15h;

Reference yield:

19-nortestosterone (434-22-0) → 6β,17β-dihydroxy-19-norandrost-4-en-3-one (4146-29-6) + 6β-hydroxy-19-norandrostenedione (5949-49-5)

Guidance literature:

With D-glucose; Fusarium culmorum AM₂₈₂; peptone; In water; acetone; at 20 ℃; for 72h; Microbiological reaction;

DOI:10.1016/j.steroids.2005.05.005

Reference yield:

estra-4-ene-3,17-dione (734-32-7) → 6β,17β-dihydroxy-19-norandrost-4-en-3-one (4146-29-6) + 6β-hydroxy-19-norandrostenedione (5949-49-5)

Guidance literature:

With D-glucose; Fusarium culmorum AM₂₈₂; peptone; In water; acetone; at 20 ℃; for 72h; Microbiological reaction;

DOI:10.1016/j.steroids.2005.05.005

upstream raw materials:

estra-4-ene-3,17-dione

19-nortestosterone

3-acetoxy-19-nor-androsta-3,5-dien-17-one

Refernces

• 1、 -. "19-NOR C3,3-DISUBSTITUTED C21-N-PYRAZOLYL STEROIDS AND METHODS OF USE THEREOF". . . Retrieved 2014/11/11.
• 2、 ?wizdor, Alina,Ko?ek, Teresa. "Transformations of 4- and 17α-substituted testosterone analogues by Fusarium culmorum". . p. 817 - 824. Retrieved 2007/10/03.