2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

Base Information

• Chemical Name: 2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
• CAS No.: 60864-73-5
• Molecular Formula: C23H26 Br F O6
• Molecular Weight: 497.358
• European Community (EC) Number: 262-501-2
• DSSTox Substance ID: DTXSID20209710
• Nikkaji Number: J268.344J
• Wikidata: Q83084102
• Mol file: 60864-73-5.mol

Synonyms:60864-73-5;EINECS 262-501-2;2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate;SCHEMBL11407901;DTXSID20209710;21-Acetoxy-2-bromo-6beta-fluoro-16alpha,17-dihydroxypregna-1,4,9(11)-triene-3,20-dione

Chemical Property of 2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

Chemical Property:

• Boiling Point: 620.3±55.0 °C(Predicted)
• PKA: 11.72±0.70(Predicted)
• PSA: 100.90000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 2.71910
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 496.08968
• Heavy Atom Count: 31
• Complexity: 969

Purity/Quality:

99% ^*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=C3C2CC(C4=CC(=O)C(=CC34C)Br)F)C)O)O
• Isomeric SMILES: CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2C[C@H](C4=CC(=O)C(=C[C@]34C)Br)F)C)O)O

Technology Process of 2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate

There total 1 articles about 2-Bromo-6beta-fluoro-16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate 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)

Guidance literature:

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:

Downstream raw materials:

2-Bromo-6β,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione 21-acetate

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