(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester

Base Information

Chemical Name:(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester
CAS No.:14413-03-7
Molecular Formula:C₂₃H₃₇O₅P
Molecular Weight:424.518
Hs Code.:
UNII:J0M6J777WB
Nikkaji Number:J2.793.250I
Wikidata:Q27148820
Mol file:14413-03-7.mol

Synonyms:14413-03-7;(3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester;UNII-J0M6J777WB;J0M6J777WB;NSC 82771;3beta-Hydroxy-16-phosphonopregn-5-en-20-one monoethyl ester;[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]-ethoxyphosphinic acid;NSC-82771;CHEBI:79691;Q27148820;PREGN-5-EN-20-ONE, 3.BETA.-HYDROXY-16-PHOSPHONO-, MONOETHYL ESTER;(3.BETA.-HYDROXY-20-OXOPREGN-5-EN-16-YL)PHOSPHONIC ACID MONOETHYL ESTER;PHOSPHONIC ACID, (3.BETA.-HYDROXY-20-OXOPREGN-5-EN-16-YL)-, MONOETHYL ESTER

Suppliers and Price of (3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester

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 4 raw suppliers

Chemical Property of (3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester

Chemical Property:

Vapor Pressure:4.62E-15mmHg at 25°C
Boiling Point:563.9°Cat760mmHg
Flash Point:294.8°C
Density:1.2g/cm³
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:424.23786127
Heavy Atom Count:29
Complexity:762

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOP(=O)(C1CC2C3CC=C4CC(CCC4(C3CCC2(C1C(=O)C)C)C)O)O
Isomeric SMILES:CCOP(=O)(C1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)C)C)C)O)O

Technology Process of (3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester

There total 2 articles about (3beta-Hydroxy-20-oxopregn-5-en-16-yl)phosphonic acid monoethyl ester 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:

: 14413-01-5
((3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl)-phosphonic acid diethyl ester

: 14413-03-7
16--pregnenolon

Guidance literature:: With 1-thiopropane; sodium ethanolate;
DOI:10.1016/0039-128X(67)90034-7

Reference yield:

: 979-02-2
16-dehydropregnenolone acetate

: 14413-03-7
16--pregnenolon

Guidance literature:: Multi-step reaction with 2 steps

1: (i) PhOH, (ii) aq. HCl

2: nPrSH, NaOEt

With 1-thiopropane; sodium ethanolate;
DOI:10.1016/0039-128X(67)90034-7