Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-

Base Information

• Chemical Name: Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-
• CAS No.: 5534-12-3
• Molecular Formula: C24H31 F O6
• Molecular Weight: 434.4977432
• Mol file: 5534-12-3.mol

Synonyms:Betamethasone 17-acetate;Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-;[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate;5534-12-3;SCHEMBL6986508

Chemical Property of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-

Chemical Property:

• Vapor Pressure: 2.34E-15mmHg at 25°C
• Boiling Point: 569.8°Cat760mmHg
• Flash Point: 298.4°C
• PSA: 100.90000
• Density: 1.3g/cm³
• LogP: 2.46650
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 434.21046687
• Heavy Atom Count: 31
• Complexity: 910

Purity/Quality:

99% ^*data from raw suppliers

Betamethasone17-Acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C)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)CO)OC(=O)C)C)O)F)C

Technology Process of Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)-

There total 6 articles about Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11,21-dihydroxy-16-methyl-, (11beta,16beta)- 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: 96.0%

betamethasone (378-44-9) + Triethyl orthoacetate (78-39-7) → betamethasone 17-acetate (5534-12-3)

Guidance literature:

With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; benzene; for 1.25h; Ambient temperature;

DOI:10.1248/cpb.37.3286

Reference yield:

→ Betamethason-17-acetat (5534-12-3,25122-35-4)

Guidance literature:

Reference yield:

→ Acetic acid (10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-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 (5534-12-3,25122-35-4)

Guidance literature:

Betamethason-21-acetat, 1.) LiMe2Cu/THF, 2.) H2SO4/W.;

upstream raw materials:

betamethasone

Triethyl orthoacetate

Refernces