Isoflupredone

Base Information

• Chemical Name: Isoflupredone
• CAS No.: 338-95-4
• Molecular Formula: C21H27FO5
• Molecular Weight: 378.441
• European Community (EC) Number: 206-422-3
• UNII: HYS0B45Z2S
• DSSTox Substance ID: DTXSID101009333
• Nikkaji Number: J5.682K
• Wikipedia: Isoflupredone
• Wikidata: Q3155502
• NCI Thesaurus Code: C77004
• Metabolomics Workbench ID: 152696
• Mol file: 338-95-4.mol

Synonyms:9 alpha-fluoroprednisolone;9-fluoroprednisolone

Chemical Property of Isoflupredone

Chemical Property:

• Vapor Pressure: 3.34E-15mmHg at 25°C
• Melting Point: 260-262°C (dec.)
• Refractive Index: 1.6
• Boiling Point: 566.7 °C at 760 mmHg
• PKA: 12.10±0.70(Predicted)
• Flash Point: 296.5 °C
• PSA: 94.83000
• Density: 1.35g/cm³
• LogP: 1.64970
• Storage Temp.: -20?C Freezer
• Solubility.: DMSO (Slightly), Ethanol (Slightly, Heated, Sonicated), Ethyl Acetate (Slightly)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 378.18425212
• Heavy Atom Count: 27
• Complexity: 775

Purity/Quality:

97% ^*data from raw suppliers

Isoflupredone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O
• Isomeric SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
• Uses: Anti-inflammatory.
• Therapeutic Function: Glucocorticoid

Technology Process of Isoflupredone

There total 12 articles about Isoflupredone 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: 79.5%

isoflupredone acetate (338-98-7) → isoflupredone (338-95-4)

Guidance literature:

With potassium carbonate; In methanol; water; N,N-dimethyl-formamide; for 0.75h; Ambient temperature;

DOI:10.1002/jps.2600830406

Reference yield:

fludrocortisone acetate (514-36-3) → isoflupredone (338-95-4)

Guidance literature:

With didymella lycopersicin;

DOI:10.1002/hlca.19550380623

Reference yield:

Dexamethasone-t-butylacetate → isoflupredone (338-95-4)

Guidance literature:

With Curvularia lunata; In water; at 30 ℃; for 72h; Yield given;

upstream raw materials:

Fludrocortisone

fludrocortisone acetate

isoflupredone acetate

prednisolone 21-acetate

Downstream raw materials:

triamcinolone

9-fluoro-11β,17-dihydroxy-21-methanesulfonyloxy-pregna-1,4-diene-3,20-dione

Acetic acid 2-((4aS,4bR,5S,6aS,6bR,9aS,10aS,10bS)-8-benzyl-4b-fluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,8,9,9a,10,10a,10b,11,12-tetradecahydro-7-oxa-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester

9-fluoro-11β,17-dihydroxy-pregna-1,4-diene-3,20-dione

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