3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate

Base Information

• Chemical Name: 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate
• CAS No.: 1173-09-7
• Molecular Formula: C24H36 O4
• Molecular Weight: 388.547
• European Community (EC) Number: 214-633-7
• DSSTox Substance ID: DTXSID10922385
• Nikkaji Number: J203.432H
• Wikidata: Q82895866
• Mol file: 1173-09-7.mol

Synonyms:1173-09-7;3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate;EINECS 214-633-7;[2-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate;DTXSID10922385;3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate;21-(Acetyloxy)-3beta-hydroxy-16alpha-methylpregn-5-en-20-one

Chemical Property of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate

Chemical Property:

• Vapor Pressure: 0.001Pa at 25℃
• Boiling Point: 506.1°Cat760mmHg
• Flash Point: 166.1°C
• PSA: 63.60000
• Density: 1.13g/cm³
• LogP: 4.30450
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 388.26135963
• Heavy Atom Count: 28
• Complexity: 697

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CC=C4CC(CCC4(C3CCC2(C1C(=O)COC(=O)C)C)C)O
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C(=O)COC(=O)C)C)C)O

Technology Process of 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate

There total 4 articles about 3beta,21-Dihydroxy-16alpha-methylpregn-5-en-20-one 21-acetate 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:

potassium acetate (127-08-2) → 21-acetoxy-3β-hydroxy-16α-methyl-pregn-5-en-20-one (1173-09-7)

Guidance literature:

With acetone;

DOI:10.1039/jr9590003595

Reference yield:

→ 16α-Methyl-Δ5-pregnen-3β,21-diol-20-on-21-acetat (1173-09-7,96553-90-1)

Guidance literature:

Steroid 18, BF3, Pb(OAc)4;

Reference yield:

→ Acetic acid 2-(3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl ester (1173-09-7,96553-90-1)

Guidance literature:

Dien III, Raney-Ni;

upstream raw materials:

potassium acetate

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