C23H27BrF2O7

Base Information

• Chemical Name: C23H27BrF2O7
• CAS No.: 57781-19-8
• Molecular Formula: C23H27 Br F2 O7
• Molecular Weight: 533.364
• European Community (EC) Number: 260-955-6
• DSSTox Substance ID: DTXSID60973362
• Mol file: 57781-19-8.mol

Synonyms:57781-19-8;DTXSID60973362;2-Bromo-6,9-difluoro-11,16,17-trihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate

Chemical Property of C23H27BrF2O7

Chemical Property:

• Boiling Point: 638.6°Cat760mmHg
• Flash Point: 340°C
• PSA: 121.13000
• Density: 1.59g/cm³
• LogP: 1.86190
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 532.09082
• Heavy Atom Count: 33
• Complexity: 997

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C(=CC43C)Br)F)F)O)C)O)O
• Isomeric SMILES: CC(=O)OCC(=O)C1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2C[C@H](C4=CC(=O)C(=C[C@@]43C)Br)F)F)O)C)O)O

Technology Process of C23H27BrF2O7

There total 4 articles about C23H27BrF2O7 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:

2-Bromo-6β-fluoro-1,4,9 (11)-pregnatriene-16α,17α,21-triol-3,20-dione 21-acetate (60864-73-5) → 2-Bromo-6β,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione 21-acetate (57781-19-8)

Guidance literature:

Reference yield:

→ 2-Bromo-6β,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione 21-acetate (57781-19-8)

Guidance literature:

entspr. Δ¹⁶-Olefin, H2;

Reference yield:

→ Acetic acid 2-((6R,9R,10S,11S,13S,16R,17S)-2-bromo-6,9-difluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester (57781-19-8)

Guidance literature:

Bromketon 40, KnMO4;

upstream raw materials:

2-Bromo-6β-fluoro-1,4,9 (11)-pregnatriene-16α,17α,21-triol-3,20-dione 21-acetate

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