2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-

Base Information

• Chemical Name: 2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-
• CAS No.: 89765-17-3
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID50433768
• Nikkaji Number: J673.375A
• Wikidata: Q82247985
• Mol file: 89765-17-3.mol

Synonyms:2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-;89765-17-3;SCHEMBL10548831;DTXSID50433768;JPOPBFXQDOKVGJ-UHFFFAOYSA-N;2-(4-ethoxyphenyl)-2-methyl-3-butanone;3-(4-Ethoxyphenyl)-3-methyl-2-butanone;3-(4-Ethoxy-phenyl)-3-methyl-butan-2-one

Chemical Property of 2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(C)(C)C(=O)C

Technology Process of 2-Butanone, 3-(4-ethoxyphenyl)-3-methyl-

There total 4 articles about 2-Butanone, 3-(4-ethoxyphenyl)-3-methyl- 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: 85.0%

diethyl sulfate (64-67-5) + 3-(p-hydroxyphenyl)-3-methyl-2-butanone (93420-35-0) → 3-(p-ethoxyphenyl)-3-methyl-2-butanone (89765-17-3)

Guidance literature:

3-(p-hydroxyphenyl)-3-methyl-2-butanone; With phenoxide resin IRA-400; In 1,2-dichloro-benzene;

diethyl sulfate; In tetrahydrofuran; for 0.05h; Further stages.; microwave irradiation;

Reference yield: 80.0%

dimethyl sulfate (77-78-1) + 3-(p-hydroxyphenyl)-3-methyl-2-butanone (93420-35-0) → 3-(p-ethoxyphenyl)-3-methyl-2-butanone (89765-17-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1002/ps.2780450411

Reference yield:

Phenetole (103-73-1) → 3-(p-ethoxyphenyl)-3-methyl-2-butanone (89765-17-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / AlCl₃ / hexane / 0.75 h / Ambient temperature

2: 80 percent / 10.5percent aq. NaOH

With sodium hydroxide; aluminium trichloride; In hexane;

DOI:10.1080/00397919508011795

upstream raw materials:

diethyl sulfate

3-(p-hydroxyphenyl)-3-methyl-2-butanone

dimethyl sulfate

Phenetole

Downstream raw materials:

1-(4-Fluoro-3-phenoxyphenyl)-4-(4-ethoxyphenyl)-4-methylpent-1-ene-3-one

1-(3-Phenoxyphenyl)-4-(4-ethoxyphenyl)-4-methylpent-1-ene-3-one

1-[4-fluoro-3-phenoxy-phenyl]-4-[p-ethoxyphenyl]-4-methyl-pentane

1-(3-Phenoxyphenyl)-3-chloro-4-(4-ethoxyphenyl)-4-methylpent-1-ene