17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one

Base Information

• Chemical Name: 17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one
• CAS No.: 604-26-2
• Molecular Formula: C20H30 O2
• Molecular Weight: 302.457
• European Community (EC) Number: 210-063-8
• UNII: 04HE5JTH63
• DSSTox Substance ID: DTXSID00209152
• Nikkaji Number: J236.220A
• Wikidata: Q76009792
• Mol file: 604-26-2.mol

Synonyms:17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one;604-26-2;1alpha-Methyltestosterone;04HE5JTH63;(1S,8R,9S,10R,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;EINECS 210-063-8;Androst-4-en-3-one, 17-hydroxy-1-methyl-, (1.alpha.,17.beta.)-;1.alpha.-Methyltestoterone;Mesterolone impurity A;1alpha-methyl testosterone;1-alpha-methyl testosterone;UNII-04HE5JTH63;SCHEMBL8337683;DTXSID00209152;1.ALPHA.-METHYLTESTOSTERONE;17-Hydroxy-1-methylandrost-4-en-3-one #;MESTEROLONE IMPURITY A [EP IMPURITY];17beta-hydroxy-1alpha-methyl-4-androsten-3-one;17beta-Hydroxy-1alpha-methylandrost-4-en-3-one;(1.ALPHA.,17.BETA.)-17-HYDROXY-1-METHYLANDROST-4-EN-3-ONE

Chemical Property of 17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one

Chemical Property:

• Vapor Pressure: 0.001Pa at 25℃
• PSA: 37.30000
• LogP: 4.12520
• Water Solubility.: 90mg/L at 25℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 302.224580195
• Heavy Atom Count: 22
• Complexity: 536

Purity/Quality:

99.9% ^*data from raw suppliers

Mesterolone impurity A European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=O)C=C2C1(C3CCC4(C(C3CC2)CCC4O)C)C
• Isomeric SMILES: C[C@H]1CC(=O)C=C2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C)C

Technology Process of 17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one

There total 6 articles about 17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one 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:

mesterolone (1424-00-6) → 17β-hydroxy-1α-methyl-androst-4-en-3-one (604-26-2)

Guidance literature:

Multistep reaction; (i) Br₂, HBr, AcOH, (ii) aq. NaOAc, (iii) Li₂CO₃, LiBr, DMF;

Reference yield:

→ 17β-Hydroxy-1α-methyl-4-androsten-3-on (604-26-2,10210-12-5,13744-65-5)

Guidance literature:

1α-Methyl-5,10-methylen-19-norandrostan-17β-ol-3-on (III), HCl;

Reference yield:

→ (S)-17-Hydroxy-1,10,13-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (604-26-2,10210-12-5,13744-65-5)

Guidance literature:

Aus Keton (5e) mit HCl;

DOI:10.1021/ja01094a034

upstream raw materials:

mesterolone

Downstream raw materials:

mesterolone

(1S,5R,8R,9S,10S,13S,14S,17S)-17-Hydroxy-1,10,13-trimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one

1α-Methylandrosta-4,16-dien-3-on

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