3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal

Base Information

Chemical Name:3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal
CAS No.:18000-89-0
Molecular Formula:C₂₃H₃₈O₃
Molecular Weight:362.553
Hs Code.:
NSC Number:85996
Nikkaji Number:J322.220I
ChEMBL ID:CHEMBL3137803

Synonyms:NSC85996;CHEMBL3137803;NSC-85996;18000-89-0

Suppliers and Price of 3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal

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 3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal

Chemical Property:

Vapor Pressure:2.92E-10mmHg at 25°C
Refractive Index:1.529
Boiling Point:456.7 °C at 760 mmHg
Flash Point:230 °C
Density:1.085 g/cm³
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:362.28209507
Heavy Atom Count:26
Complexity:556

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC(CC1CCC3C2CCC4(C3CCC4C5(OCCO5)C)C)O
Isomeric SMILES:C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)O

Technology Process of 3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal

There total 8 articles about 3alpha-Hydroxy-5beta-pregnan-20-one ethylene acetal 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: 100.0%

: 516-55-2
isopregnanolone

: 107-21-1
ethylene glycol

: 2124-26-7,14615-04-4,14957-69-8,18000-89-0,18125-29-6,95670-99-8,126451-96-5
(3β,5α)-3-hydroxypregnan-20-one 1,2-ethanediyl acetal

Guidance literature:: With toluene-4-sulfonic acid; trimethyl orthoformate; In dichloromethane; at 20 ℃;
DOI:10.1021/jm300317k

Reference yield:

: 145-13-1
Pregnenolone

: 2124-26-7,14615-04-4,14957-69-8,18000-89-0,18125-29-6,95670-99-8,126451-96-5
(3β,5α)-3-hydroxypregnan-20-one 1,2-ethanediyl acetal

Guidance literature:: Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / ethanol / 5 h / Inert atmosphere

2: toluene-4-sulfonic acid; trimethyl orthoformate / dichloromethane / 20 °C

With palladium 10% on activated carbon; hydrogen; toluene-4-sulfonic acid; trimethyl orthoformate; In ethanol; dichloromethane;
DOI:10.1021/jm300317k