7-Ketopregnenolone

Base Information

• Chemical Name: 7-Ketopregnenolone
• CAS No.: 33530-84-6
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.467
• DSSTox Substance ID: DTXSID10955153
• Nikkaji Number: J66.991A
• Mol file: 33530-84-6.mol

Synonyms:7-Ketopregnenolone;7-oxopregnenolone;33530-84-6;3-beta-Hydroxypregn-5-ene-7,20-dione;Pregn-5-ene-7,20-dione, 3-beta-hydroxy-;Pregn-5-ene-7,20-dione, 3-hydroxy-, (3-beta)-;SCHEMBL7064356;DTXSID10955153;CHEBI:183807;5-Pregnen-3beta-ol-7,20-dione;3-Hydroxypregn-5-ene-7,20-dione;3beta-hydroxy-5-pregnen-7,20-dione;5-Pregnen-3.beta.-ol-7,20-dione;3beta-hydroxy-5-pregnene-7,20-dione;3beta-hydroxypregn-5-ene-7,20-dione;3-Hydroxypregn-5-ene-7,20-dione #;LS-118697

Chemical Property of 7-Ketopregnenolone

Chemical Property:

• Vapor Pressure: 1.29E-11mmHg at 25°C
• Boiling Point: 489.1°Cat760mmHg
• Flash Point: 263.7°C
• PSA: 54.37000
• Density: 1.15g/cm³
• LogP: 3.69430
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 330.21949481
• Heavy Atom Count: 24
• Complexity: 621

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

3-BETA-HYDROXY-PREGN-5-ENE-7,20-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C

Technology Process of 7-Ketopregnenolone

There total 4 articles about 7-Ketopregnenolone 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%

Pregnenolone (145-13-1) → 3β-hydroxypregn-5-ene-7,20-dione (33530-84-6)

Guidance literature:

With tert.-butylhydroperoxide; [copper(II)(salqu)]; In acetonitrile; at 70 ℃;

DOI:10.1021/jo902637k

Reference yield:

7-ketopregnenolone acetate (6748-09-0) → 3β-hydroxypregn-5-ene-7,20-dione (33530-84-6)

Guidance literature:

With 1,4-dioxane; methanol; sodium hydroxide;

DOI:10.1021/ja01580a051

Reference yield:

Pregnenolone acetate (1778-02-5) → 3β-hydroxypregn-5-ene-7,20-dione (33530-84-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Na₂CrO₄; acetic acid; acetic acid anhydride

2: aq. NaOH solution; methanol; dioxane

With 1,4-dioxane; methanol; sodium hydroxide; sodium chromate(VI); acetic anhydride; acetic acid;

DOI:10.1021/ja01580a051

upstream raw materials:

7-ketopregnenolone acetate

5-hydroperoxy-3β-hydroxy-5α-pregn-6-en-20-one

Pregnenolone acetate

Pregnenolone