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
Hs Code.:
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

Suppliers and Price of Pregn-5-ene-3,20-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

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:

: 145-13-1
Pregnenolone

: 57-83-0
Progesterone

: 1236-09-5
pregn-5-ene-3,20-dione

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%

: 1236-09-5
pregn-5-ene-3,20-dione

: 302-97-6
androst-4-en-3-one-17β-carboxylic acid

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