3-(4-Methoxyphenyl)-3-methylbutan-2-one

Base Information

• Chemical Name: 3-(4-Methoxyphenyl)-3-methylbutan-2-one
• CAS No.: 14958-00-0
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID20456166
• Nikkaji Number: J673.374C
• Wikidata: Q82278392
• Mol file: 14958-00-0.mol

Synonyms:3-(4-Methoxyphenyl)-3-methylbutan-2-one;14958-00-0;2-Butanone, 3-(4-methoxyphenyl)-3-methyl-;2-(4-methoxyphenyl)-2-methyl-3-butanone;SCHEMBL7588832;DTXSID20456166;GPTKQSXOITXAQH-UHFFFAOYSA-N;AKOS006314881;3-(4-Methoxyphenyl)-3-methyl-2-butanone;3-(4-Methoxy-phenyl)-3-methyl-butan-2-one;Y14658

Chemical Property of 3-(4-Methoxyphenyl)-3-methylbutan-2-one

Chemical Property:

• PSA: 26.30000
• LogP: 2.56180
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenyl)-3-methylbutan-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-Methoxyphenyl)-3-methylbutan-2-one

There total 7 articles about 3-(4-Methoxyphenyl)-3-methylbutan-2-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: 90.0%

dimethyl sulfate (77-78-1) + 3-(p-hydroxyphenyl)-3-methyl-2-butanone (93420-35-0) → 2-(4-methoxyphenyl)-2-methyl-3-butanone (14958-00-0)

Guidance literature:

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

dimethyl sulfate; In tetrahydrofuran; for 0.0583333h; Further stages.; microwave irradiation;

Reference yield: 58.0%

4-methoxybenzyl methyl ketone (122-84-9) + methyl iodide (74-88-4) → 2-(4-methoxyphenyl)-2-methyl-3-butanone (14958-00-0)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at -78 - 20 ℃; for 48h;

Reference yield:

2-(4-methoxy-phenyl)-3-methyl-butane-2,3-diol (106167-99-1) → 2-(4-methoxyphenyl)-2-methyl-3-butanone (14958-00-0)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01550a034

upstream raw materials:

3-(4-methoxyphenyl)butan-2-one

potassium tert-butylate

2-(4-methoxy-phenyl)-3-methyl-butane-2,3-diol

dimethyl sulfate

Downstream raw materials:

bis-[2-(4-methoxy-phenyl)-1,2-dimethyl-propylidene]-hydrazine

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

3-methyl-3-(p-methoxyphenyl)-2-butanone oxime

C₁₉H₂₃NO₅S