21-Deoxybetamethasone 17-propionate

Base Information

• Chemical Name: 21-Deoxybetamethasone 17-propionate
• CAS No.: 4351-48-8
• Molecular Formula: C₂₅H₃₃FO₅
• Molecular Weight: 432.532
• European Community (EC) Number: 224-414-8
• UNII: 5J8MF9TDIU
• Nikkaji Number: J205.724G
• Wikidata: Q27262410
• Mol file: 4351-48-8.mol

Synonyms:21-Deoxybetamethasone 17-propionate;4351-48-8;EINECS 224-414-8;UNII-5J8MF9TDIU;5J8MF9TDIU;9-Fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate;[(8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate;DOXIBETASOL PROPIONATE;C25H33FO5;DOXIBETASOL 17-PROPIONATE;C25-H33-F-O5;GR-2/443;21-DESOXY-BETAMETHASONE-17-PROPIONATE;CLOBETASOL PROPIONATE IMPURITY H [EP IMPURITY];Q27262410;9-Fluoro-11beta-hydroxy-16beta-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione;PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11-HYDROXY-16-METHYL-17-(1-OXOPROPOXY)-, (11.BETA.,16.BETA.)-;PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,17-DIHYDROXY-16.BETA.-METHYL-, 17-PROPIONATE

Chemical Property of 21-Deoxybetamethasone 17-propionate

Chemical Property:

• Melting Point: 240-245 °C
• Boiling Point: 542.8°Cat760mmHg
• PKA: 12.93±0.70(Predicted)
• Flash Point: 282.1°C
• PSA: 80.67000
• Density: 1.22g/cm³
• LogP: 3.88420
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 432.23120231
• Heavy Atom Count: 31
• Complexity: 908

Purity/Quality:

98%Min ^*data from raw suppliers

21-DeschloroClobetasol17-Propionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)C
• Isomeric SMILES: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)C
• Uses: 21-Deschloro Clobetasol 17-Propionate possesses vasoconstrictor activity. Also, it is derived from Betamethasone 17-Propionate 21-Mesylate (Clobetasol Propionate EP Impurity), which is the 21-mesylate analogue of Betamethasone 17-Acetate (B327015) with anti-inflammatory activity.

Technology Process of 21-Deoxybetamethasone 17-propionate

There total 3 articles about 21-Deoxybetamethasone 17-propionate 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:

→ Propionic acid (9R,10S,11S,13S,16R,17R)-17-acetyl-9-fluoro-11-hydroxy-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 ester (4351-48-8,15423-91-3)

Guidance literature:

entspr. 17,21-Orthoester;

Reference yield:

→ Propionic acid 17-acetyl-9-fluoro-11-hydroxy-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 ester (4351-48-8,15423-91-3)

Guidance literature:

Reference yield:

→ Propionic acid (9R,10S,11S,13S,16S,17R)-17-acetyl-9-fluoro-11-hydroxy-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 ester (4351-48-8,15423-91-3)

Guidance literature:

Sulfonyloxyverb.;

Refernces