17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol

Base Information

• Chemical Name: 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol
• CAS No.: 6626-60-4
• Molecular Formula: C22H32N2O
• Molecular Weight: 340.5023
• NSC Number: 58246
• DSSTox Substance ID: DTXSID50984780
• Nikkaji Number: J790.303K
• Wikidata: Q27148614
• Pharos Ligand ID: DMM1GQYMHSJS
• ChEMBL ID: CHEMBL2112518

Synonyms:17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol;CHEMBL2112518;CHEBI:79521;6626-60-4;NSC58246;SCHEMBL6129399;DTXSID50984780;BDBM50408269;NSC-58246;17-(1H-Imidazol-5-yl)androst-5-en-3-ol;Q27148614

Chemical Property of 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol

Chemical Property:

• Vapor Pressure: 1.28E-12mmHg at 25°C
• Boiling Point: 542.9°C at 760 mmHg
• Flash Point: 282.1°C
• Density: 1.16g/cm³
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 340.251463648
• Heavy Atom Count: 25
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C4=CN=CN4)CC=C5C3(CCC(C5)O)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CN=CN4)CC=C5[C@@]3(CC[C@@H](C5)O)C

Technology Process of 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol

There total 3 articles about 17beta-(1H-Imidazol-4-yl)androst-5-en-3beta-ol 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: 29.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 21-acetoxypregnenolone (566-78-9) → NSC 58246 (6626-60-4)

Guidance literature:

With ammonium hydroxide; copper diacetate; In ethanol; for 6h; Heating;

DOI:10.1021/jm970337k

Reference yield: 27.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3β,21-diacetoxypregn-5-en-20-one (1693-63-6) → NSC 58246 (6626-60-4) + 3β-acetoxy-17-(4'-imidazolyl)androst-5-ene

Guidance literature:

With ammonium hydroxide; copper diacetate; In ethanol; for 6h; Heating;

DOI:10.1021/jm970337k

Reference yield:

21-acetoxypregnenolone (566-78-9) → NSC 58246 (6626-60-4)

Guidance literature:

With formaldehyd; ammonia; copper diacetate;

upstream raw materials:

21-acetoxypregnenolone

formaldehyd

3β,21-diacetoxypregn-5-en-20-one

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