3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-20-one

Base Information

Chemical Name:3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-20-one
CAS No.:53-40-7
Molecular Formula:C₂₅H₄₁NO₃
Molecular Weight:403.605
Hs Code.:
DSSTox Substance ID:DTXSID20967469
Nikkaji Number:J707.420D
Wikidata:Q76010177
ChEMBL ID:CHEMBL3138386

Synonyms:BRN 1164424;53-40-7;3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-20-one;5-alpha-Pregnan-20-one, 3-alpha-hydroxy-2-beta-morpholino-;Pregnan-20-one, 3-hydroxy-2-(4-morpholinyl)-, (2-beta,3-alpha,5-alpha)-;SCHEMBL7378274;CHEMBL3138386;DTXSID20967469;LS-118584;3-Hydroxy-2-(morpholin-4-yl)pregnan-20-one;2beta-Morpholino-3alpha-hydroxy-5alpha-pregnan-20-one;(2beta,3alpha,5alpha)-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

Suppliers and Price of 3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-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 6 raw suppliers

Chemical Property of 3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-20-one

Chemical Property:

Vapor Pressure:6.63E-13mmHg at 25°C
Boiling Point:518.2°C at 760 mmHg
Flash Point:267.2°C
Density:1.107g/cm³
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:403.30864417
Heavy Atom Count:29
Complexity:646

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C
Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C

Technology Process of 3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-20-one

There total 2 articles about 3-alpha-Hydroxy-2-beta-morpholino-5-alpha-pregnan-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:

: (2S,3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-(2-methyl-[1,3]dioxolan-2-yl)-2-morpholin-4-yl-hexadecahydro-cyclopenta[a]phenanthren-3-ol

: 53-40-7
(2β,3α,5α)-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

Guidance literature:: With methanesulfonic acid; In methanol; for 1h; Yield given; Ambient temperature;
DOI:10.1021/jm960733n

Reference yield:

: 20,20-ethylenedioxy-5α-pregnan-2α,3α-epoxide

: 53-40-7
(2β,3α,5α)-3-hydroxy-2-(4-morpholinyl)pregnan-20-one

Guidance literature:: Multi-step reaction with 2 steps

1: Na₂CO₃ / ethane-1,2-diol / 4.5 h / 120 - 130 °C

2: aq. MeSO₃H / methanol / 1 h / Ambient temperature

With methanesulfonic acid; sodium carbonate; In methanol; ethylene glycol;
DOI:10.1021/jm960733n