6alpha-Methyl-21-desoxycortisol

Base Information

• Chemical Name: 6alpha-Methyl-21-desoxycortisol
• CAS No.: 7055-53-0
• Molecular Formula: C22H32 O4
• Molecular Weight: 360.494
• European Community (EC) Number: 615-123-0
• NSC Number: 53892
• UNII: 6ZKS9Y205V
• DSSTox Substance ID: DTXSID501205698
• Nikkaji Number: J2.790.744J
• Wikidata: Q27148533
• ChEMBL ID: CHEMBL1999888
• Mol file: 7055-53-0.mol

Synonyms:6alpha-Methyl-21-desoxycortisol;7055-53-0;UNII-6ZKS9Y205V;6ZKS9Y205V;NSC53892;CHEBI:79464;NSC 53892;NSC-53892;6alpha-Methyl-11beta,17alpha-dihydroxyprogesterone;11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-dione;SCHEMBL3395657;CHEMBL1999888;11beta-Hydroxymedroxyprogesterone;DTXSID501205698;Pregn-4-ene-3,20-dione, 11.beta.,17-dihydroxy-6.alpha.-methyl-;NCI60_004326;6.ALPHA.-METHYL-21-DESOXYCORTISOL;U-7655;Q27148533;Progesterone, 11.beta.,17-dihydroxy-6.alpha.-methyl-;11beta,17-dihydroxy-6alpha-methyl-pregn-4-ene-3,20-dione;Pregn-4-ene-3, 11.beta.,17-dihydroxy-6.alpha.-methyl-;(6alpha,11beta)-11,17-Dihydroxy-6-methylpregn-4-ene-3,20-dione;6.ALPHA.-METHYL-11.BETA.,17.ALPHA.-DIHYDROXYPROGESTERONE;PREGN-4-ENE-3,20-DIONE, 11,17-DIHYDROXY-6-METHYL-, (6.ALPHA.,11.BETA.)-

Chemical Property of 6alpha-Methyl-21-desoxycortisol

Chemical Property:

• Vapor Pressure: 2.52E-13mmHg at 25°C
• Boiling Point: 527.4°C at 760 mmHg
• Flash Point: 286.8°C
• PSA: 74.60000
• Density: 1.19g/cm³
• LogP: 3.05520
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 360.23005950
• Heavy Atom Count: 26
• Complexity: 696

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O

Technology Process of 6alpha-Methyl-21-desoxycortisol

There total 16 articles about 6alpha-Methyl-21-desoxycortisol 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:

C26H42O6 → 11β,17-dihydroxy-6α-methyl-pregn-4-ene-3,20-dione (7055-53-0)

Guidance literature:

With sulfuric acid; In tetrahydrofuran; pH=2 - 3;

Reference yield:

17-hydroxy-pregn-4-ene-3,11,20-trione (1882-82-2) → 11β,17-dihydroxy-6α-methyl-pregn-4-ene-3,20-dione (7055-53-0)

Guidance literature:

Multi-step reaction with 6 steps

1: toluene-4-sulfonic acid / dichloromethane; water

2: N-methylaniline; hydrogenchloride / tetrahydrofuran

3: hydrogenchloride; palladium on activated charcoal / ethanol; cyclohexene

4: toluene-4-sulfonic acid / dichloromethane

5: sodium tetrahydroborate / methanol

6: hydrogenchloride

With hydrogenchloride; sodium tetrahydroborate; palladium on activated charcoal; toluene-4-sulfonic acid; N-methylaniline; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; cyclohexene;

Reference yield:

C22H28O4 → 11β,17-dihydroxy-6α-methyl-pregn-4-ene-3,20-dione (7055-53-0)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrogenchloride; palladium on activated charcoal / ethanol; cyclohexene

2: toluene-4-sulfonic acid / dichloromethane

3: sodium tetrahydroborate / methanol

4: hydrogenchloride

With hydrogenchloride; sodium tetrahydroborate; palladium on activated charcoal; toluene-4-sulfonic acid; In methanol; ethanol; dichloromethane; cyclohexene;

upstream raw materials:

5,11β,17-trihydroxy-6β-methyl-5α-pregnane-3,20-dione

11β,17α,21-trihydroxy-6α-methylpregna-4-ene-3,20-dione

17-hydroxy-pregn-4-ene-3,11,20-trione

11-oxomedroxyprogesterone

Downstream raw materials:

21-acetoxy-11β,17-dihydroxy-6α-methyl-pregn-4-ene-3,20-dione

11β,17α,21-trihydroxy-6α-methylpregna-4-ene-3,20-dione

11β,17α-dihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione

methylprednisolone acetate