17-O-Acetyl-6-methylprednisolone

Base Information

• Chemical Name: 17-O-Acetyl-6-methylprednisolone
• CAS No.: 86401-94-7
• Molecular Formula: C₂₄H₃₂O₆
• Molecular Weight: 416.514
• DSSTox Substance ID: DTXSID701142533
• Nikkaji Number: J2.381.873F
• Mol file: 86401-94-7.mol

Synonyms:17-O-Acetyl-6-methylprednisolone;86401-94-7;Pregna-1,4-diene-3,20-dione,17-(acetyloxy)-11,21-dihydroxy-6-methyl-, (6a,11b)-;SCHEMBL1371249;PPTFKULIEDYVJD-LFYFAGGJSA-N;DTXSID701142533;Q-201396;17-acetoxy-11beta,21-dihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione;(6alpha,11beta)-17-(Acetyloxy)-11,21-dihydroxy-6-methylpregna-1,4-diene-3,20-dione;11beta,21-dihydroxy-17alpha-acetoxy-6alpha-methyl-1,4-pregnadiene-3,20-dione;17alpha-acetoxy-11beta,21-dihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione

Chemical Property of 17-O-Acetyl-6-methylprednisolone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 416.21988874
• Heavy Atom Count: 30
• Complexity: 858

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OC(=O)C
• 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)C=C4)C)O)C)(C(=O)CO)OC(=O)C

Technology Process of 17-O-Acetyl-6-methylprednisolone

There total 1 articles about 17-O-Acetyl-6-methylprednisolone 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 acetate (53-36-1,1048031-82-8) → Methylprednisolone (83-43-2) + 17α-acetoxy-11β,21-dihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione (86401-94-7)

Guidance literature:

With aq. buffer; In N,N-dimethyl-formamide; at 25 ℃; Rate constant; Mechanism; pH dependence;

DOI:10.1002/jps.2600730507

Reference yield:

17α-acetoxy-11β,21-dihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione (86401-94-7) → Methylprednisolone (83-43-2) + methylprednisolone acetate (53-36-1,1048031-82-8)

Guidance literature:

With aq. buffer; In N,N-dimethyl-formamide; at 25 ℃; Rate constant; Mechanism; pH dependence;

DOI:10.1002/jps.2600730507

Reference yield:

benzoyl chloride (98-88-4) + 17α-acetoxy-11β,21-dihydroxy-6α-methyl-1,4-pregnadiene-3,20-dione (86401-94-7) → 17α-acetoxy-21-benzoyloxy-11β-hydroxy-6α-methyl-1,4-pregnadiene-3,20-dione (89472-27-5)

Guidance literature:

With triethylamine; In dichloromethane; for 3h; Yield given; Ambient temperature;

DOI:10.1248/cpb.33.1889

upstream raw materials:

methylprednisolone acetate

Downstream raw materials:

17α-acetoxy-21-benzoyloxy-11β-hydroxy-6α-methyl-1,4-pregnadiene-3,20-dione

Methylprednisolone

methylprednisolone acetate

17α-acetoxy-9α-fluoro-6α-methylprogesterone

Refernces