9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione

Base Information

Chemical Name:9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione
CAS No.:4064-57-7
Molecular Formula:C21H27FO3
Molecular Weight:346.442
Hs Code.:
NSC Number:44446
DSSTox Substance ID:DTXSID90961035
Nikkaji Number:J2.792.357G
Wikidata:Q27148719

Synonyms:9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione;4064-57-7;SCHEMBL11688389;CHEBI:79598;DTXSID90961035;WHFHAAOGZDECTE-OLGWUGKESA-N;NSC44446;NSC-44446;9-Fluoro-11-hydroxypregna-4,16-diene-3,20-dione;Q27148719

Suppliers and Price of 9-Fluoro-11beta-hydroxypregna-4,16-diene-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 2 raw suppliers

Chemical Property of 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione

Chemical Property:

Vapor Pressure:3.87E-12mmHg at 25°C
Boiling Point:501°C at 760 mmHg
Flash Point:256.8°C
Density:1.21g/cm³
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:346.19442288
Heavy Atom Count:25
Complexity:723

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C
Isomeric SMILES:CC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C

Technology Process of 9-Fluoro-11beta-hydroxypregna-4,16-diene-3,20-dione

There total 7 articles about 9-Fluoro-11beta-hydroxypregna-4,16-diene-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: 87.0%

: 9α-fluoro-11β-hydroxy-17α-ethynyl-17β-hydroxy-4-androsten-3-one

: 4064-57-7
9α-fluoro-11β-hydroxy-4,16-dienepregna-3,20-dione

Guidance literature:: With Eaton′s Reagent; In dichloromethane; for 2h; Reflux; Large scale;

Reference yield:

: 3827-33-6,53777-16-5
16α,17-epoxy-9-fluoro-11β-hydroxy-pregn-4-ene-3,20-dione

: 4064-57-7
9α-fluoro-11β-hydroxy-4,16-dienepregna-3,20-dione

Guidance literature:: With chromium dichloride; acetic acid; Erwaermen des Reaktionsprodukts mit HCl in Aceton und CHCl₃;
DOI:10.1021/ja01527a049

Reference yield:

: 110053-24-2
9-bromo-16α,17-epoxy-11β-hydroxy-pregn-4-ene-3,20-dione

: 4064-57-7
9α-fluoro-11β-hydroxy-4,16-dienepregna-3,20-dione

Guidance literature:: Multi-step reaction with 3 steps

1: potassium acetate; ethanol

2: dichloromethane; tetrahydrofuran; hydrogen fluoride / -60 °C

3: CrCl₂; acetic acid / Erwaermen des Reaktionsprodukts mit HCl in Aceton und CHCl₃

With tetrahydrofuran; chromium dichloride; ethanol; dichloromethane; hydrogen fluoride; potassium acetate; acetic acid;
DOI:10.1021/ja01527a049