9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione

Base Information

• Chemical Name: 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione
• CAS No.: 378-38-1
• Molecular Formula: C22H31 F O3
• Molecular Weight: 362.485
• European Community (EC) Number: 206-824-9
• NSC Number: 72826
• UNII: KU7S99GJ60
• DSSTox Substance ID: DTXSID80191243
• Nikkaji Number: J213.599J
• Wikidata: Q27116127
• ChEMBL ID: CHEMBL3250075
• Mol file: 378-38-1.mol

Synonyms:378-38-1;9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione;9-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione;UNII-KU7S99GJ60;KU7S99GJ60;CHEBI:34518;EINECS 206-824-9;NSC-72826;(6S,8S,9R,10S,11S,13S,14S,17S)-17-acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one;9alpha-Fluoro-11beta-hydroxy-6alpha-methylpregn-4-ene-3,20-dione;C22H31FO3;C22-H31-F-O3;CHEMBL3250075;DTXSID80191243;FDA 0094;NSC72826;NSC 72826;Q27116127;6.ALPHA.-METHYL-9.ALPHA.-FLUORO-11.BETA.-HYDROXYPROGESTERONE;Pregn-4-ene-3, 9-fluoro-11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-;9.ALPHA.-FLUORO-11.BETA.-HYDROXY-6.ALPHA.-METHYL-4-PREGNENE-3,20-DIONE;Pregn-4-ene-3,20-dione, 9-fluoro-11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-;PREGN-4-ENE-3,20-DIONE, 9-FLUORO-11.BETA.-HYDROXY-6.ALPHA.-METHYL-

Chemical Property of 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione

Chemical Property:

• Boiling Point: 491.3°Cat760mmHg
• Flash Point: 250.9°C
• PSA: 54.37000
• Density: 1.17g/cm³
• LogP: 4.03240
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 362.22572301
• Heavy Atom Count: 26
• Complexity: 700

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)CC4)C)F)O)C)C(=O)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)CC4)C)F)O)C)C(=O)C

Technology Process of 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione

There total 2 articles about 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-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:

→ 6α-Methyl-9α-fluor-11β-hydroxypregn-4-en-3,20-dion (378-38-1)

Guidance literature:

Epoxid III, HF;

Reference yield:

→ (6S,9R,11S)-17-Acetyl-9-fluoro-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (378-38-1)

Guidance literature:

6α-Methyl-9β,11β-oxido-4-pregnen-3,20-dion-(IV), HF, CH2Cl2, THF;