3-Hydroxyestran-17-one

Base Information

• Chemical Name: 3-Hydroxyestran-17-one
• CAS No.: 65556-19-6
• Molecular Formula: C18H28O2
• Molecular Weight: 276.41
• DSSTox Substance ID: DTXSID90893660
• Nikkaji Number: J3.044.537F
• Mol file: 65556-19-6.mol

Synonyms:19-norandrosterone;19-norandrosterone, (3alpha,5alpha)-isomer;19-norandrosterone, (3alpha,5beta)-isomer;19-norandrosterone, (3beta)-isomer;19-norandrosterone, (3beta,5alpha)-isomer;19-norandrosterone, (3beta,5alpha,8alpha,9beta,10alpha,13alpha,14beta)-isomer;19-norandrosterone, (3beta,5beta)-isomer;19-noreoiandrosterone;19-noretiocholanolone;2,2,3,4,4,-d5-19-nor-5alpha-androsterone;3-hydroxyestran-17-one

Chemical Property of 3-Hydroxyestran-17-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 412.874°C at 760 mmHg
• Flash Point: 176.265°C
• PSA: 37.30000
• Density: 1.093g/cm³
• LogP: 3.56900
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 418

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C4CCC(CC4CCC3C1CCC2=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4[C@@H]3CCC(C4)O

Technology Process of 3-Hydroxyestran-17-one

There total 9 articles about 3-Hydroxyestran-17-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:

→ 3β-Hydroxy-19-nor-5α-androstanon-(17) (1225-01-0,10002-93-4,22834-69-1,33036-33-8,64044-10-6,65556-19-6,76156-26-8,94424-27-8,95340-46-8,130930-11-9)

Guidance literature:

3β,17β-Dihydroxy-19-nor-5α-androstan, Digitonin/A., dann CrO3/HOAc; Py.;

DOI:10.1021/ja01490a062

Reference yield:

→ 19-Nor-5α-androstan-3β-ol-17-on (1225-01-0,10002-93-4,22834-69-1,33036-33-8,64044-10-6,65556-19-6,76156-26-8,94424-27-8,95340-46-8,130930-11-9)

Guidance literature:

19-Nor-androstandion-(3,17), NaBH4/wss.i-PrOH/Me. (neben 19-Nor-androstandiol-(3β,17β));

DOI:10.1021/jo01066a631

Reference yield:

→ 19-Nor-5α-androstan-3α-ol-17-on (1225-01-0,10002-93-4,22834-69-1,33036-33-8,64044-10-6,65556-19-6,76156-26-8,94424-27-8,95340-46-8,130930-11-9)

Guidance literature:

entspr. 3β-Tosylat/DMF (80-85grad), dann wss.KOH/Me.<Δ> (neben 19-Nor-Δ²-androstenon-(17));

DOI:10.1021/jo01066a631