(20S)-17,20,21-Trihydroxypregn-4-en-3-one

Base Information

Chemical Name:(20S)-17,20,21-Trihydroxypregn-4-en-3-one
CAS No.:3946-10-9
Molecular Formula:C21H32O4
Molecular Weight:348.483
Hs Code.:
European Community (EC) Number:223-536-9
Nikkaji Number:J217.782J
Mol file:3946-10-9.mol

Synonyms:(20S)-17,20,21-Trihydroxypregn-4-en-3-one;3946-10-9;SCHEMBL751354;EINECS 223-536-9;(8R,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;17,20beta,21beta-Trihydroxy-4-pregnen-3-one

Suppliers and Price of (20S)-17,20,21-Trihydroxypregn-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 (20S)-17,20,21-Trihydroxypregn-4-en-3-one

Chemical Property:

Vapor Pressure:4.02E-14mmHg at 25°C
Refractive Index:1.585
Boiling Point:544.4 °C at 760 mmHg
Flash Point:297.1 °C
PSA：77.76000
Density:1.22 g/cm³
LogP:2.60260
XLogP3:2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:348.23005950
Heavy Atom Count:25
Complexity:613

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C(CO)O)O)C
Isomeric SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4([C@H](CO)O)O)C

Technology Process of (20S)-17,20,21-Trihydroxypregn-4-en-3-one

There total 10 articles about (20S)-17,20,21-Trihydroxypregn-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: 40.0%

: 152-58-9
Cortexolone

: 128-19-8
(8R,9S,10R,13S,14S,17R)-17-((R)-1,2-Dihydroxy-ethyl)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

: 3946-10-9
4-pregnen-17α,20β,21-triol-3-one

Guidance literature:: With sodium tetrahydroborate; calcium chloride; In water; ethyl acetate; at -27 ℃;
DOI:10.1016/0039-128X(83)90125-3

Reference yield:

: 21853-83-8
21-acetoxy-16α,17-epoxy-pregn-4-ene-3,20-dione

: 3946-10-9
4-pregnen-17α,20β,21-triol-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: dioxane; sulfuric acid

2: LiAlH₄

With 1,4-dioxane; lithium aluminium tetrahydride; sulfuric acid;
DOI:10.1021/ja01149a026