9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)

Base Information

• Chemical Name: 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
• CAS No.: 52668-06-1
• Molecular Formula: C₂₈H₃₉FO₆
• Molecular Weight: 490.612
• European Community (EC) Number: 258-086-2
• DSSTox Substance ID: DTXSID301110013
• Nikkaji Number: J295.763I
• Mol file: 52668-06-1.mol

Synonyms:52668-06-1;EINECS 258-086-2;Pregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-;9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate);C28H39FO6;C28-H39-F-O6;DTXSID301110013;21-(3,3-Dimethyl-1-oxobutoxy)-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

Chemical Property of 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)

Chemical Property:

• Boiling Point: 608.3°Cat760mmHg
• Flash Point: 321.7°C
• PSA: 100.90000
• Density: 1.23g/cm³
• LogP: 3.88280
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 490.27306712
• Heavy Atom Count: 35
• Complexity: 1010

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)CC(C)(C)C)O)C)O)F)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)CC(C)(C)C)O)C)O)F)C

Technology Process of 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)

There total 2 articles about 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate) 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:

→ 3,3-Dimethyl-butyric acid 2-((9R,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-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 (24668-75-5,52668-06-1)

Guidance literature:

9α-Fluor-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadien-3,20-dion, tert.-Butylacetanhydrid, Py.;

Reference yield:

→ 9α-Fluor-11β,17α,21-trihydroxy-16α-methyl-1,4-pregnadien-3,20-dion tert.-bu-tylessigsaeure-21-monoester (24668-75-5,52668-06-1)

Guidance literature:

entspr. Trihydroxypregnadien, Py., tert.-Butylessigsaeureanhydrid;

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