11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione

Base Information

Chemical Name:11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione
CAS No.:77826-00-7
Molecular Formula:C₂₁H₂₈O₄
Molecular Weight:344.451
Hs Code.:
NSC Number:93356
DSSTox Substance ID:DTXSID30999034
Wikidata:Q82991888

Synonyms:MLS002695193;NSC93356;SCHEMBL15920503;DTXSID30999034;NSC-93356;11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione

Suppliers and Price of 11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione

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 3 raw suppliers

Chemical Property of 11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione

Chemical Property:

Vapor Pressure:1.17E-13mmHg at 25°C
Melting Point:198.5-201 °C(Solv: acetone (67-64-1); ligroine (8032-32-4))
Boiling Point:534.5±50.0 °C(Predicted)
PKA:14.59±0.60(Predicted)
Density:1.25±0.1 g/cm3(Predicted)
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:344.19875937
Heavy Atom Count:25
Complexity:696

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC45C(=O)CO5)C)O
Isomeric SMILES:C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]45C(=O)CO5)C)O

Technology Process of 11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione

There total 6 articles about 11-Hydroxy-17,21-epoxypregn-4-ene-3,20-dione 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: 95.0%

: 50-23-7
HYDROCORTISONE

: 124-63-0
methanesulfonyl chloride

: 77826-00-7
(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2′-oxetane]-3,3′(2H)-dione

Guidance literature:: HYDROCORTISONE; methanesulfonyl chloride; With pyridine; In water; at 0 ℃; for 2h;

With potassium tert-butylate; In tetrahydrofuran; at 20 ℃; for 0.5h;