21-Deoxycortisone

Base Information

• Chemical Name: 21-Deoxycortisone
• CAS No.: 1882-82-2
• Molecular Formula: C21H28O4
• Molecular Weight: 344.451
• European Community (EC) Number: 217-541-5
• NSC Number: 38722
• UNII: 60A688J7YQ
• DSSTox Substance ID: DTXSID70172167
• Nikkaji Number: J199.703C
• Wikipedia: 21-Deoxycortisone
• Wikidata: Q27077018
• Metabolomics Workbench ID: 200439
• Mol file: 1882-82-2.mol

Synonyms:21-deoxycortisone

Chemical Property of 21-Deoxycortisone

Chemical Property:

• Vapor Pressure: 3.39E-13mmHg at 25°C
• Melting Point: 236-239 °C
• Refractive Index: 1.568
• Boiling Point: 524.571 °C at 760 mmHg
• PKA: 12.76±0.60(Predicted)
• Flash Point: 285.129 °C
• PSA: 71.44000
• Density: 1.217 g/cm³
• LogP: 3.01740
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 344.19875937
• Heavy Atom Count: 25
• Complexity: 707

Purity/Quality:

99% ^*data from raw suppliers

21-DeoxyCortisone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O
• Uses: A Cortisone derivative, a glucocorticoid.

Technology Process of 21-Deoxycortisone

There total 25 articles about 21-Deoxycortisone 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: 99.7%

21-iodocortisone (5758-63-4) → 17-hydroxy-pregn-4-ene-3,11,20-trione (1882-82-2)

Guidance literature:

With mercaptoacetic acid; In N,N-dimethyl-formamide; for 0.25h; Ambient temperature;

Reference yield: 98.2%

21-deoxycortisol (641-77-0) → 17-hydroxy-pregn-4-ene-3,11,20-trione (1882-82-2)

Guidance literature:

With Jones reagent; In butanone; at 0 - 9 ℃; for 2h; Solvent;

Reference yield: 89.0%

2-((8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl methanesulfonate (5783-48-2) → 17-hydroxy-pregn-4-ene-3,11,20-trione (1882-82-2)

Guidance literature:

With sodium iodide; zinc; In 1,2-dimethoxyethane; water; for 5h; Heating;

upstream raw materials:

17,21-dihydroxy-pregn-4-ene-3,11,20-trione

11α,17α-dihydroxypregn-4-ene-3,20-dione

3β,11α,17-trihydroxy-pregn-5-en-20-one

4β-chloro-17-hydroxy-5β-pregnane-3,11,20-trione

Downstream raw materials:

21-hydroxy-1,4-pregnadiene-3,11,20-trione

17-hydroxy-5α-pregnane-3,11,20-trione

Methylprednisolone

methylprednisolone acetate