Pregnenoic acid

Base Information

Chemical Name:Pregnenoic acid
CAS No.:2681-57-4
Molecular Formula:C₂₁H₂₈O₄
Molecular Weight:344.451
Hs Code.:
DSSTox Substance ID:DTXSID70949614
Nikkaji Number:J39.799G
Wikidata:Q82927535
Mol file:2681-57-4.mol

Synonyms:4-pregnene-3,20-dione-21-oic acid;pregnenoic acid

Suppliers and Price of Pregnenoic acid

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 6 raw suppliers

Chemical Property of Pregnenoic acid

Chemical Property:

Vapor Pressure:4.15E-11mmHg at 25°C
Boiling Point:494°Cat760mmHg
Flash Point:266.7°C
PSA：71.44000
Density:1.21g/cm³
LogP:3.78820
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:344.19875937
Heavy Atom Count:25
Complexity:677

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2C(=O)C(=O)O)CCC4=CC(=O)CCC34C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)C(=O)O)CCC4=CC(=O)CC[C@]34C

Technology Process of Pregnenoic acid

There total 6 articles about Pregnenoic acid 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: 62.0%

: 64-85-7,3562-14-9,5716-95-0,109361-92-4
Desoxycorticosterone

: 2681-54-1,2681-56-3,75197-03-4,91200-16-7
20-Hydroxy-3-oxo-pregn-4-en-21-oic acid

: 2681-57-4
3,20-Dioxopregn-4-en-21-oic acid

Guidance literature:: With water; triphenyltetrazolium chloride; Yield given. Multistep reaction; 1.) EtOH, 2.) 0.5 h, room temp.,(aqueous phase);
DOI:10.1055/s-1980-29195

Reference yield: 53.0%

: 853-27-0
3,20-dioxo-4-pregnen-21-al

: 2681-57-4
3,20-dioxopregn-4-en-21-oic acid

Guidance literature:: With sodium hydroxide; silver(l) oxide; for 1h;
DOI:10.1016/0039-128X(83)90118-6

Reference yield: 16.0%

: 64-85-7
21-Hydroxyprogesterone

: 2681-57-4
3,20-dioxopregn-4-en-21-oic acid

Guidance literature:: With lumiflavin; In ethanol; Irradiation; pH > 11; var. reag.: 3-methyllumiflavin, 8-carboxylumiflavin;
DOI:10.1016/S0040-4039(00)98908-1