17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate

Base Information

• Chemical Name: 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate
• CAS No.: 51192-49-5
• Molecular Formula: C26H34 O6
• Molecular Weight: 442.552
• European Community (EC) Number: 257-043-5
• DSSTox Substance ID: DTXSID60199207
• Nikkaji Number: J261.651C
• Wikidata: Q83072113
• Mol file: 51192-49-5.mol

Synonyms:51192-49-5;17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate;EINECS 257-043-5;Prednisone pivalate;DTXSID60199207

Chemical Property of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate

Chemical Property:

• Vapor Pressure: 7.83E-17mmHg at 25°C
• Boiling Point: 598.7°Cat760mmHg
• Flash Point: 198.1°C
• PSA: 97.74000
• Density: 1.22g/cm³
• LogP: 3.36280
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 442.23553880
• Heavy Atom Count: 32
• Complexity: 952

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC(=O)C3C(C1CCC2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=CC34C
• Isomeric SMILES: C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C

Technology Process of 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate

There total 3 articles about 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate 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:

Cortisone (53-06-5) → Prednisone pivalate (51192-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: mit Hilfe von Didymella lycopersici

2: pyridine; CHCl₃

With pyridine; chloroform;

DOI:10.1002/hlca.19550380623

Reference yield:

Prednison (53-03-2) + pivaloyl chloride (3282-30-2) → Prednisone pivalate (51192-49-5)

Guidance literature:

With pyridine; chloroform;

DOI:10.1002/hlca.19550380623

Reference yield:

→ 17α,21-Dihydroxy-1,4-pregnadien-3,11,20-trion-21-trimethylacetat (51192-49-5)

Guidance literature:

17α,21-Dihydroxy-1,4-pregnadien-3,11,20-trion, Py., Trimethylessigsaeureanhydrid;

upstream raw materials:

Prednison

pivaloyl chloride

Cortisone

Downstream raw materials:

Prednison