3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-one

Base Information

Chemical Name:3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-one
CAS No.:38393-04-3
Molecular Formula:C21H30O2
Molecular Weight:314.468
Hs Code.:
DSSTox Substance ID:DTXSID50959312
Mol file:38393-04-3.mol

Synonyms:3 alpha-hydroxy-5 alpha-pregna-9(11),16-diene-20-one;3-HPDO

Suppliers and Price of 3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-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 1 raw suppliers

Chemical Property of 3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-one

Chemical Property:

Vapor Pressure:2.26E-10mmHg at 25°C
Boiling Point:459.5°Cat760mmHg
Flash Point:195.6°C
PSA：37.30000
Density:1.11g/cm³
LogP:4.43540
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:314.224580195
Heavy Atom Count:23
Complexity:601

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CCC2C1(CC=C3C2CCC4C3(CCC(C4)O)C)C
Isomeric SMILES:CC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

Technology Process of 3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-one

There total 14 articles about 3alpha-Hydroxy-5alpha-pregna-9(11),16-diene-20-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: 80.0%

: 96354-45-9
1-((3R,5S,8S,10S,13S,14S,16R,17S)-3-Hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,10,12,13,14,15,16-tetradecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-17-yl)-ethanone

: 38393-04-3
3α-Hydroxy-5α-pregna-9(11),16-dien-20-one

Guidance literature:: With lithium aluminium tetrahydride; titanium(III) chloride; In tetrahydrofuran; for 1.5h; Heating;
DOI:10.1016/S0039-128X(84)90120-X

Reference yield: 8.0%

: 1-[(5S,8S,10S,13S,14S)-10,13-Dimethyl-3-(tetrahydro-pyran-2-yloxy)-2,3,4,5,6,7,8,10,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-propan-1-one

: 5888-09-5,16300-80-4,38393-04-3,95044-19-2
3β-hydroxy-5α-pregna-9(11),16-dien-20-one

: 55652-83-0
3β-hydroxy-21-methyl-5α-pregna-9(11),16-diene-20-one

Guidance literature:: With water; acetic acid; Ambient temperature;
DOI:10.1039/P19810002306

Reference yield:

: 96354-43-7
3-Iodo-benzoic acid (3R,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-10,13-dimethyl-hexadecahydro-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthren-3-yl ester

: 38393-04-3
3α-Hydroxy-5α-pregna-9(11),16-dien-20-one

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / SO₂Cl₂, benzoyl peroxide / CCl₄ / 5 h / Heating

2: 80 percent / TiCl₃-LiAlH₄ / tetrahydrofuran / 1.5 h / Heating

With lithium aluminium tetrahydride; sulfuryl dichloride; Perbenzoic acid; titanium(III) chloride; In tetrahydrofuran; tetrachloromethane;
DOI:10.1016/S0039-128X(84)90120-X