Pregn-5-ene-3,20-dione

Base Information

• Chemical Name: Pregn-5-ene-3,20-dione
• CAS No.: 1236-09-5
• Molecular Formula: C21H30 O2
• Molecular Weight: 314.468
• NSC Number: 12875
• DSSTox Substance ID: DTXSID801318941
• Nikkaji Number: J67.033B
• Wikidata: Q27132841
• Metabolomics Workbench ID: 62992
• ChEMBL ID: CHEMBL1743202
• Mol file: 1236-09-5.mol

Synonyms:pregn-5-ene-3,20-dione

Chemical Property of Pregn-5-ene-3,20-dione

Chemical Property:

• Vapor Pressure: 6.03E-08mmHg at 25°C
• Boiling Point: 440.1°Cat760mmHg
• Flash Point: 164.2°C
• PSA: 34.14000
• Density: 1.08g/cm³
• LogP: 4.72350
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 314.224580195
• Heavy Atom Count: 23
• Complexity: 589

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=O)C4)C)C

Technology Process of Pregn-5-ene-3,20-dione

There total 1 articles about Pregn-5-ene-3,20-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:

Pregnenolone (145-13-1) → Progesterone (57-83-0) + pregn-5-ene-3,20-dione (1236-09-5)

Guidance literature:

With chromic acid; In acetone; at 0 ℃; for 0.0666667h; Title compound not separated from byproducts;

DOI:10.1002/(SICI)1099-1344(199803)41:3<221::AID-JLCR70>3.0.CO;2-Y

Reference yield: 75.48%

pregn-5-ene-3,20-dione (1236-09-5) → androst-4-en-3-one-17β-carboxylic acid (302-97-6)

Guidance literature:

pregn-5-ene-3,20-dione; With sodium hypobromide; In 1,4-dioxane; water; at 20 ℃; for 1.5h;

With sodium sulfite; In 1,4-dioxane; water; for 0.25h; Reflux;

DOI:10.1080/14756366.2019.1654469

Reference yield:

pregn-5-ene-3,20-dione (1236-09-5) → Progesterone (57-83-0)

Guidance literature:

With sulfuric acid;

upstream raw materials:

Pregnenolone

Downstream raw materials:

Progesterone

Pregnenolone

(3α)-3-hydroxypregn-5-en-20-one

testolactone

Refernces

• 1、 Herl, Vanessa,Frankenstein, Joerdis,Meitinger, Nadine,Mueller-Uri, Frieder,Kreis, Wolfgang. "Δ5-3β-hydroxysteroid dehydrogenase (3βHSD) from Digitalis lanata. Heterologous expression and characterisation of the recombinant enzyme". . p. 704 - 710. Retrieved 2007.