3-Hexanone, 4,4-bis(4-methoxyphenyl)-

Base Information

• Chemical Name: 3-Hexanone, 4,4-bis(4-methoxyphenyl)-
• CAS No.: 115-42-4
• Molecular Formula: C20H24O3
• Molecular Weight: 312.409
• DSSTox Substance ID: DTXSID70439388
• Wikidata: Q82255327
• Mol file: 115-42-4.mol

Synonyms:3-Hexanone, 4,4-bis(4-methoxyphenyl)-;115-42-4;DTXSID70439388;3-Hexanone, 4,4-bis(p-methoxyphenyl)-

Chemical Property of 3-Hexanone, 4,4-bis(4-methoxyphenyl)-

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 312.17254462
• Heavy Atom Count: 23
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-Hexanone, 4,4-bis(4-methoxyphenyl)-

There total 12 articles about 3-Hexanone, 4,4-bis(4-methoxyphenyl)- 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: 100.0%

(+/-)-diethylstilbestrol 5,5'-dimethyl ether → 4,4-bis-(4-methoxy-phenyl)-hexan-3-one (115-42-4)

Guidance literature:

cation-radical orange 9,10-dimethoxy-1,4:5,8-dimethano-1,2,3,4,5,6,7,8-octahydroanthracene*BF₄^(1-); In dichloromethane; at 0 ℃; for 0.1h;

DOI:10.3891/acta.chem.scand.52-0114

Reference yield:

3,4-Bis(4-methoxyphenyl)-3,4-hexandiol (24530-01-6,42565-19-5,51690-65-4,7499-29-8) → 4,4-bis-(4-methoxy-phenyl)-hexan-3-one (115-42-4)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01182a103

Reference yield:

2,2-bis(4-methoxyphenyl)acetonitrile (6275-26-9) → 4,4-bis-(4-methoxy-phenyl)-hexan-3-one (115-42-4)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNH₂; benzene / anschliessend mit Aethyljodid erwaermen

2: und anschliessend mit wss. HCl

With sodium amide; benzene;

DOI:10.1021/ja01161a110

upstream raw materials:

ethylmagnesium iodide

2,2-bis(4-methoxyphenyl)acetonitrile

3,4-Bis(4-methoxyphenyl)-3,4-hexandiol

ethylmagnesium bromide

Downstream raw materials:

Diethylstilbestrol dimethyl ether

Refernces

• 1、 Oda, Taiko,Watanuki, Mitsuru,Sato, Yoshihiro,Hata, Tadashi. "Optically Active trans-Diethylstilbesterol Oxide Monomethyl Ether". . p. 810 - 815. Retrieved 2007/10/02.