9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

Base Information

Chemical Name:9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS No.:60864-48-4
Molecular Formula:C₂₃H₂₇FO₇
Molecular Weight:434.462
Hs Code.:
European Community (EC) Number:262-488-3
DSSTox Substance ID:DTXSID00976337
Mol file:60864-48-4.mol

Synonyms:60864-48-4;EINECS 262-488-3;C23H27FO7;C23-H27-F-O7;9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate;DTXSID00976337;6-Fluoro-16,17-dihydroxy-3,20-dioxo-9,11-epoxypregna-1,4-dien-21-yl acetate

Suppliers and Price of 9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

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 9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

Chemical Property:

PSA：113.43000
LogP:1.20770
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:434.17408136
Heavy Atom Count:31
Complexity:958

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)C1(C(CC2C1(CC3C4(C2CC(C5=CC(=O)C=CC54C)F)O3)C)O)O
Isomeric SMILES:CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC3C4([C@H]2C[C@H](C5=CC(=O)C=C[C@@]54C)F)O3)C)O)O

Technology Process of 9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

There total 2 articles about 9beta,11alpha-Epoxy-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 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:

: C₂₃H₂₆O₅

: 60864-48-4
C₂₃H₂₇FO₇

Guidance literature:: C₂₃H₂₆O₅; With methanesulfonic acid; at 85 ℃; for 3h;

With Selectfluor; In water; acetonitrile; at -10 - -5 ℃; for 12h;

With potassium permanganate; formic acid; In acetone; at -10 - -5 ℃; for 1h;

Reference yield:

: 37413-91-5
2-((10S,13S,14S)-10,13-dimethyl-3-oxo-6,7,8,10,12,13,14,15-octahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

: 60864-48-4
C₂₃H₂₇FO₇

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; perchloric acid / acetone; water / 2 h / -10 - -5 °C

1.2: 12 h / -5 - 35 °C

2.1: methanesulfonic acid / 3 h / 85 °C

2.2: 12 h / -10 - -5 °C

2.3: 1 h / -10 - -5 °C

With perchloric acid; methanesulfonic acid; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In water; acetone;