Diflucortolone

Base Information

• Chemical Name: Diflucortolone
• CAS No.: 2607-06-9
• Molecular Formula: C22H28F2O4
• Molecular Weight: 394.459
• Hs Code.: 2937229000
• European Community (EC) Number: 220-022-6
• UNII: K253365DXI
• DSSTox Substance ID: DTXSID50180705
• Nikkaji Number: J7.627I
• Wikipedia: Diflucortolone
• Wikidata: Q5275453
• NCI Thesaurus Code: C87231
• Metabolomics Workbench ID: 152149
• ChEMBL ID: CHEMBL509924
• Mol file: 2607-06-9.mol

Synonyms:Diflucortolone;Ro 10 7614;Ro 10-7614;Ro 107614

Chemical Property of Diflucortolone

Chemical Property:

• Appearance/Colour: A white to pink crystalline
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 220oC
• Refractive Index: 1.562
• Boiling Point: 534.005 °C at 760 mmHg
• PKA: 12.90±0.70(Predicted)
• Flash Point: 276.756 °C
• PSA: 74.60000
• Density: 1.295 g/cm³
• LogP: 2.72880
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 394.19556569
• Heavy Atom Count: 28
• Complexity: 791

Purity/Quality:

99% ^*data from raw suppliers

Diflucortolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C)F
• Uses: Glucocorticoid. . Difluocortolone is used as a topical therapy in the treatment of pediatric tinea corporis; a common mycotic infection in children.
• Therapeutic Function: Antiinflammatory

Technology Process of Diflucortolone

There total 6 articles about Diflucortolone 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: 93.0%

flumetasone (2135-17-3) → 6α,9-difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione (2607-06-9)

Guidance literature:

With trimethylsilyl iodide; In acetonitrile; at -20 ℃; for 2h; Inert atmosphere;

Reference yield:

diflucortolone Valerate → 6α,9-difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione (2607-06-9)

Guidance literature:

With water; potassium hydrogencarbonate; In 1,4-dioxane; methanol; at 20 ℃; for 72h;

DOI:10.1016/j.bmc.2012.10.036

Reference yield:

9β,11-epoxy-6α-fluoro-16α-methyl-17,21-dihydroxy-1,4-diene-3,20-dione 21-acetate (4571-51-1) → 6α,9-difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione (2607-06-9)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium carbonate; water / methanol / 10 h

2: hydrogen fluoride / 5 h / -15 - -10 °C

3: trimethylsilyl iodide / acetonitrile / 2 h / -20 °C / Inert atmosphere

With trimethylsilyl iodide; hydrogen fluoride; water; potassium carbonate; In methanol; acetonitrile;

upstream raw materials:

flumetasone

9β,11-epoxy-6α-fluoro-16α-methyl-17,21-dihydroxy-1,4-diene-3,20-dione 21-acetate

epoxyparamethasone

Refernces

• 1、 -. "PROCESS FOR THE PREPARATION OF 17-DESOXY-CORTICOSTEROIDS". Page/Page column 14-15; 20. . Retrieved 2012/02/05.