Diethylstilbestrol pinacolone

Base Information

• Chemical Name: Diethylstilbestrol pinacolone
• CAS No.: 18922-13-9
• Molecular Formula: C18H20 O3
• Molecular Weight: 284.355
• NSC Number: 408851
• UNII: 3X2BX5I3ZZ
• DSSTox Substance ID: DTXSID80940435
• Nikkaji Number: J23.060J
• Wikidata: Q82917093
• Mol file: 18922-13-9.mol

Synonyms:diethylstilbestrol pinacolone

Chemical Property of Diethylstilbestrol pinacolone

Chemical Property:

• Vapor Pressure: 3.85E-09mmHg at 25°C
• Boiling Point: 461.6°Cat760mmHg
• Flash Point: 247.1°C
• Density: 1.154g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 284.14124450
• Heavy Atom Count: 21
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

Technology Process of Diethylstilbestrol pinacolone

There total 11 articles about Diethylstilbestrol pinacolone 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:

(+/-)-trans-diethylstilbesterol oxide diacetate → diethylstilbesterol pinacolone (18922-13-9)

Guidance literature:

With potassium hydroxide; In methanol; at 90 ℃; for 0.833333h;

Reference yield:

meso-3,4-bis-(4-hydroxy-phenyl)-hexane-3,4-diol (18978-24-0) → diethylstilbesterol pinacolone (18922-13-9)

Guidance literature:

With potassium pyrosulfate; at 180 - 190 ℃;

Reference yield:

3,4-hexanedione (4437-51-8) + phenol (108-95-2,27073-41-2) → diethylstilbesterol pinacolone (18922-13-9)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/ja01161a110

upstream raw materials:

(RS,RS)-α,α'-diethyl-α,α'-epoxy-bibenzyl-4,4'-diol

meso-3,4-bis-(4-hydroxy-phenyl)-hexane-3,4-diol

racem.-3.4-bis-(4-hydroxy-phenyl)-hexanediol-(3.4)

3,4-hexanedione

Downstream raw materials:

cis-3,4-Bis(p-hydroxyphenyl)-3-hexene

diethylstilbestrol

1,1-bis-(4-hydroxyphenyl)propane

4,4-bis-(4-methoxy-phenyl)-hexan-3-one

Refernces

• 1、 Men'shova, N. I.,Dolginova, E. M.,Grinenko, G. S.. "IMPROVED METHOD FOR THE PREPARATION OF DIETHYLSTILBESTROL FROM 4,4-BIS(p-ACETOXYPHENYL)-3-HEXANONE". . p. 390 - 391. Retrieved 2007/10/02.