Pregn-4-en-3-one

Base Information

Chemical Name:Pregn-4-en-3-one
CAS No.:1232-18-4
Molecular Formula:C21H32O
Molecular Weight:300.47800
Hs Code.:
DSSTox Substance ID:DTXSID20447817
Nikkaji Number:J2.322.864E
Wikidata:Q27116938
Metabolomics Workbench ID:35429
Mol file:1232-18-4.mol

Synonyms:pregn-4-en-3-one;4-pregnen-3-one;1232-18-4;(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;CHEBI:36725;pregna-4-ene-3-one;SCHEMBL952254;DTXSID20447817;LMST02030150;Q27116938

Suppliers and Price of Pregn-4-en-3-one

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 7 raw suppliers

Chemical Property of Pregn-4-en-3-one

Chemical Property:

PSA：17.07000
LogP:5.54450
XLogP3:5.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:300.245315640
Heavy Atom Count:22
Complexity:518

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Isomeric SMILES:CC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Technology Process of Pregn-4-en-3-one

There total 13 articles about Pregn-4-en-3-one 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: 77.0%

: 2862-58-0
5-pregnen-3β-ol

: 1232-18-4
4-pregnen-3-one

Guidance literature:: With aliminium tert-butylate; In acetone; toluene; for 9h; Heating;
DOI:10.1016/S0040-4020(01)80848-6

Reference yield: 42.0%

: 1474-66-4
5β-pregnan-3-one

: 1232-18-4
4-pregnen-3-one

Guidance literature:: With trifluoroacetic acid; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dimethyl sulfoxide; at 65 ℃; for 20h; Temperature; regioselective reaction;
DOI:10.1016/j.chemphyslip.2013.11.007