Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime

Base Information

• Chemical Name: Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime
• CAS No.: 10582-05-5
• Molecular Formula: C19H25 N O2
• Molecular Weight: 299.413
• DSSTox Substance ID: DTXSID20418204
• Mol file: 10582-05-5.mol

Synonyms:Estrone, 3-(methyl ether);DTXSID20418204;UPFPBOLHKZHRQR-YDKWXADCSA-N;Estrone, oxime, 3-(methyl ether);Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime

Chemical Property of Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 463.8°Cat760mmHg
• Flash Point: 234.3°C
• Density: 1.26g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 299.188529040
• Heavy Atom Count: 22
• Complexity: 462

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=NO)CCC4=C3C=CC(=C4)OC
• Isomeric SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1CC/C2=N\O)CCC4=C3C=CC(=C4)OC

Technology Process of Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime

There total 5 articles about Estra-1,3,5(10)-trien-17-one, 3-methoxy-, oxime 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:

estrone 3-methyl ether (1624-62-0) → 17-hydroxyimino-3-methoxy-estra-1,3,5(10)-triene (10582-05-5)

Guidance literature:

DOI:10.1021/ja01584a033

Reference yield:

Estrone (53-16-7) → 17-hydroxyimino-3-methoxy-estra-1,3,5(10)-triene (10582-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfate; aqueous alkaline solution

With alkaline solution; dimethyl sulfate;

Reference yield:

Estriol (50-27-1,300853-07-0) → 17-hydroxyimino-3-methoxy-estra-1,3,5(10)-triene (10582-05-5)

Guidance literature:

Multi-step reaction with 3 steps

1: KHSO₄ / 180 - 200 °C / im Hochvakuum

2: dimethyl sulfate; aqueous alkaline solution

With potassium hydrogensulfate; alkaline solution; dimethyl sulfate;

upstream raw materials:

estrone 3-methyl ether

Estrone

3-methoxy-estra-1,3,5(10)-triene-16α,17β-diol

Estriol