3-Oxopregna-1,4-diene-20-carboxylic acid

Base Information

Chemical Name:3-Oxopregna-1,4-diene-20-carboxylic acid
CAS No.:71154-85-3
Molecular Formula:C22H30 O3
Molecular Weight:342.478
Hs Code.:
European Community (EC) Number:275-222-6
DSSTox Substance ID:DTXSID201264023
Nikkaji Number:J308.724G
Mol file:71154-85-3.mol

Synonyms:3-BNC;3-oxo-bisnorchola-1,4-dien-22-oic acid

Suppliers and Price of 3-Oxopregna-1,4-diene-20-carboxylic 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

American Custom Chemicals Corporation
3-OXOPREGNA-1,4-DIENE-20-CARBOXYLIC ACID 95.00%
5MG
$ 500.28

Total 5 raw suppliers

Chemical Property of 3-Oxopregna-1,4-diene-20-carboxylic acid

Chemical Property:

Vapor Pressure:1.1E-11mmHg at 25°C
Melting Point:234 - 237 °C
Boiling Point:507.8°C at 760 mmHg
PKA:4.68±0.10(Predicted)
Flash Point:275°C
PSA：54.37000
Density:1.15g/cm³
LogP:4.63120
XLogP3:5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:342.21949481
Heavy Atom Count:25
Complexity:675

Purity/Quality:

99% ^*data from raw suppliers

3-OXOPREGNA-1,4-DIENE-20-CARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C)C(=O)O
Isomeric SMILES:CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)C(=O)O

Technology Process of 3-Oxopregna-1,4-diene-20-carboxylic acid

There total 6 articles about 3-Oxopregna-1,4-diene-20-carboxylic 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: 83.0%

: 81201-82-3
(20S)-3-oxopregna-1,4-diene-20-carboxaldehyde

: 67516-56-7,71154-85-3,20248-18-4
(20S)-3-oxopregna-1,4-diene-20-carboxylic acid

Guidance literature:: With jones reagent;

Reference yield: 73.0%

: 35525-27-0
22-hydroxy-23,24-bis-norchola-1,4-diene-3-one

: 67516-56-7,71154-85-3,20248-18-4
(20S)-3-oxopregna-1,4-diene-20-carboxylic acid

Guidance literature:: With chromium(VI) oxide; In acetone; at 8 ℃; for 0.5h;

Reference yield:

: 5779-62-4,83-46-5,83-47-6,19044-06-5,31793-83-6,125636-84-2,130062-49-6
β-sitosterol

: 897-06-3
Androsta-1,4-diene-3,17-dione

: 71154-85-3
23,24-Bisnorchola-1,4-dien-3-on-22-oic acid

Guidance literature:: With 8-quinolinol; Myc_. mucosum 3-AP; In N,N-dimethyl-formamide; for 72h; Product distribution; other mycobacteria, various media for cultivation of mycobacteria;
DOI:10.1007/BF00768340