3-Methyl-3-(4-methylphenyl)butan-2-one

Base Information

Chemical Name:3-Methyl-3-(4-methylphenyl)butan-2-one
CAS No.:25570-48-3
Molecular Formula:C12H16O
Molecular Weight:176.258
Hs Code.:
DSSTox Substance ID:DTXSID40544812
Wikidata:Q82422089

Synonyms:3-methyl-3-p-tolylbutan-2-one;3-Methyl-3-(4-methylphenyl)butan-2-one;25570-48-3;2-(4-methylphenyl)-2-methyl-3-butanone;SCHEMBL1107165;DTXSID40544812;ZIYLSBHBLCBTJB-UHFFFAOYSA-N

Suppliers and Price of 3-Methyl-3-(4-methylphenyl)butan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Methyl-3-(4-methylphenyl)butan-2-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:176.120115130
Heavy Atom Count:13
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(C)(C)C(=O)C

Technology Process of 3-Methyl-3-(4-methylphenyl)butan-2-one

There total 3 articles about 3-Methyl-3-(4-methylphenyl)butan-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: 71.0%

: 25570-48-3
2-(4-methylphenyl)-2-methyl-3-butanone

Guidance literature:: With C₂₅H₂₃AuNO₂PS; In 1,2-dichloro-ethane; at 100 ℃; for 0.166667h; Microwave irradiation;

Reference yield: 51.0%

: 1855-11-4
2-methyl-3-p-tolyl-2,3-butanediol

: 25570-48-3
2-(4-methylphenyl)-2-methyl-3-butanone

Guidance literature:: With iron(III) chloride hexahydrate; N-fluorobis(benzenesulfon)imide; In neat (no solvent); Microwave irradiation;
DOI:10.1021/acs.joc.7b02587

Reference yield:

: 122-00-9
para-methylacetophenone

: 25570-48-3
2-(4-methylphenyl)-2-methyl-3-butanone

Guidance literature:: Multi-step reaction with 2 steps

1: magnesium; chloro-trimethyl-silane / N,N-dimethyl-formamide / 20 °C

2: iron(III) chloride hexahydrate; N-fluorobis(benzenesulfon)imide / neat (no solvent) / Microwave irradiation

With chloro-trimethyl-silane; iron(III) chloride hexahydrate; magnesium; N-fluorobis(benzenesulfon)imide; In N,N-dimethyl-formamide;
DOI:10.1021/acs.joc.7b02587