Prednisolone 21-propionate

Base Information

• Chemical Name: Prednisolone 21-propionate
• CAS No.: 5740-62-5
• Molecular Formula: C24H32O6
• Molecular Weight: 416.50728
• Hs Code.: 2937290000
• UNII: VEK806FF9A
• Wikidata: Q27291787
• Mol file: 5740-62-5.mol

Synonyms:Prednisolone 21-propionate;5740-62-5;UNII-VEK806FF9A;VEK806FF9A;Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-(1-oxopropoxy)-, (11beta)-;[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate;AKOS015969771;PREDNICARBATE IMPURITY C [EP IMPURITY];Q27291787;11.BETA.,17-DIHYDROXY-3,20-DIOXOPREGNA-1,4-DIEN-21-YL PROPANOATE;PREGNA-1,4-DIENE-3,20-DIONE, 11,17-DIHYDROXY-21-(1-OXOPROPOXY)-, (11.BETA.)-

Chemical Property of Prednisolone 21-propionate

Chemical Property:

• Melting Point: 250-253℃
• PSA: 100.90000
• LogP: 2.51850
• Storage Temp.: -20°C Freezer
• Solubility.: Dioxane (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 416.21988874
• Heavy Atom Count: 30
• Complexity: 843

Purity/Quality:

98%Min ^*data from raw suppliers

Prednisolone 21-Propionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
• Isomeric SMILES: CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
• Uses: Prednisolone 21-Propionate is a derivative of Prednisolone (P703740), synthetic corticosteroid; metabolically interconvertible with prednisone. Prednicarbate USP Related Compound C.

Technology Process of Prednisolone 21-propionate

There total 3 articles about Prednisolone 21-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: 0.58%

prednicarbate (73771-04-7) → 11β,17-dihydroxy-21-propionyloxypregna-1,4-diene-3,20-dione (5740-62-5) + Prednisolone 17-ethylcarbonate (104286-02-4)

Guidance literature:

With silica gel; for 20h; Irradiation;

Reference yield:

prednisolon (50-24-8,8056-11-9) + propionyl chloride (79-03-8) → 11β,17-dihydroxy-21-propionyloxypregna-1,4-diene-3,20-dione (5740-62-5)

Guidance literature:

In 1,4-dioxane;

Reference yield:

→ Prednisolonpropionat (5740-62-5)

Guidance literature:

entspr. Alkohol, Acylierung;

upstream raw materials:

prednisolon

propionyl chloride

prednicarbate