6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione
• CAS No.: 60895-22-9
• Molecular Formula: C₂₂H₂₈F₂O₅
• Molecular Weight: 410.458
• European Community (EC) Number: 262-519-0
• Mol file: 60895-22-9.mol

Synonyms:60895-22-9;6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione;EINECS 262-519-0;(6R,8S,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;C22H28F2O5;C22-H28-F2-O5

Chemical Property of 6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 2.33E-15mmHg at 25°C
• Boiling Point: 569.8°C at 760 mmHg
• PKA: 11.98±0.70(Predicted)
• Flash Point: 298.4°C
• Density: 1.36g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 410.19048031
• Heavy Atom Count: 29
• Complexity: 839

Purity/Quality:

99% ^*data from raw suppliers

6β-Fluoro-Flumethasone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)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(C3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F
• Uses: 6β-Flumetasone is derived from Dexamethasone (D298800), which is a glucocorticoid used as an anti-inflammatory agent. Dexamethasone regulates T cell survival, growth, and differentiation. Dexamethasone inhibits the induction of nitric oxide synthase.

Technology Process of 6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

There total 3 articles about 6beta,9-Difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-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:

C25H36F2O5Si → 6α-Fluor-dexamethason (2135-17-3,2557-49-5,6477-56-1,59905-50-9,60895-22-9)

Guidance literature:

With hydrogenchloride; In methanol; water; pH=Ca. 1;

Reference yield:

C25H36F2O3Si → 6α-Fluor-dexamethason (2135-17-3,2557-49-5,6477-56-1,59905-50-9,60895-22-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 3-chloro-benzenecarboperoxoic acid; potassium hydrogencarbonate / dichloromethane / 0 - 5 °C

2: hydrogenchloride / methanol; water / pH Ca_. 1

With hydrogenchloride; potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane; water;

Reference yield:

→ 6α,11β,16α-6,9-difluoro-11,17,21-trihydroxy-16α-methyl-pregna-1,4-diene-3,20-dione (2135-17-3,2557-49-5,6477-56-1,59905-50-9,60895-22-9)

Guidance literature:

Acetat 4, Natriummethanolat;

DOI:10.1002/jlcr.2590030205

Downstream raw materials:

6α,9α-difluoro-11β,17α-dihydroxy-16α-methyl-3-oxo-androsta-1,4-diene-17β-carboxylic acid

Refernces