6alpha-Methylprednisone

Base Information

• Chemical Name: 6alpha-Methylprednisone
• CAS No.: 91523-05-6
• Molecular Formula: C₂₂H₂₈O₅
• Molecular Weight: 372.461
• Hs Code.: 2937290000
• NSC Number: 63546
• UNII: 621XR2W6OP
• DSSTox Substance ID: DTXSID801347908
• Nikkaji Number: J3.066.466C
• Wikidata: Q27263418
• Metabolomics Workbench ID: 153837
• Mol file: 91523-05-6.mol

Synonyms:6-methylprednisone

Chemical Property of 6alpha-Methylprednisone

Chemical Property:

• Vapor Pressure: 1.39E-15mmHg at 25°C
• Melting Point: 227 - 231 °C
• Boiling Point: 574.4°Cat760mmHg
• PKA: 12.36±0.70(Predicted)
• Flash Point: 315.2°C
• PSA: 91.67000
• Density: 1.28g/cm³
• LogP: 2.01180
• Storage Temp.: -20°C Freezer
• Solubility.: Dioxane (Slightly, Sonicated), DMSO (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 372.19367399
• Heavy Atom Count: 27
• Complexity: 795

Purity/Quality:

6α-MethylPrednisone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(=O)C2C4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
• Uses: A metabolite of Meprednisone (Methylprednisolone). A metabolite of Meprednisone(Methylprednisolone)

Technology Process of 6alpha-Methylprednisone

There total 10 articles about 6alpha-Methylprednisone 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:

Methylprednisolone (83-43-2) → 17α,21-dihydroxy-6α-methylpregna-1,4-diene-3,11,20-trione (111264-84-7,91523-05-6) + 11β-hydroxy-6α-methyl-1,4-androstadiene-3,17-dione (61919-52-6) + 11β,17α-dihydroxy-6α-methyl-1,4-androstadiene-3-one

Guidance literature:

Product distribution; Rate constant; Irradiation; radiolytic degradation;

DOI:10.1002/jps.2600720108

Reference yield:

6α-methylprednisone acetate → 17α,21-dihydroxy-6α-methylpregna-1,4-diene-3,11,20-trione (111264-84-7,91523-05-6)

Guidance literature:

With methanol; potassium hydroxide; In dichloromethane; at 0 - 5 ℃; for 0.5h; Inert atmosphere;

Reference yield:

Methylprednisolone (83-43-2) → 17α,21-dihydroxy-6α-methylpregna-1,4-diene-3,11,20-trione (111264-84-7,91523-05-6)

Guidance literature:

With pyridine; N-bromoacetamide;

DOI:10.1021/ja01604a078

upstream raw materials:

Methylprednisolone

11β,21-dihydroxy-6α-methyl-pregna-4,17(20)c-dien-3-one

21-acetoxy-11β-hydroxy-6α-methyl-pregna-1,4,17(20)c-trien-3-one

methylprednisolone acetate