3-Methyl-1-(4-methylphenyl)butan-1-one

Base Information

Chemical Name:3-Methyl-1-(4-methylphenyl)butan-1-one
CAS No.:61971-91-3
Molecular Formula:C12H16O
Molecular Weight:176.258
Hs Code.:
DSSTox Substance ID:DTXSID30500720
Nikkaji Number:J1.890.741K
Wikidata:Q82352578

Synonyms:61971-91-3;3-Methyl-1-(4-methylphenyl)butan-1-one;3,4'-Dimethylbutyrophenone;3-Methyl-1-p-tolyl-butan-1-one;SCHEMBL507140;DTXSID30500720;VUUNMVVLFFPBKY-UHFFFAOYSA-N

Suppliers and Price of 3-Methyl-1-(4-methylphenyl)butan-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
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Total 0 raw suppliers

Chemical Property of 3-Methyl-1-(4-methylphenyl)butan-1-one

Chemical Property:

Refractive Index:1.5081 (estimate)
Boiling Point:259°C (estimate)
PSA：17.07000
Density:0.9560
LogP:3.22380
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:176.120115130
Heavy Atom Count:13
Complexity:164

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Methyl-1-(4-methylphenyl)butan-1-one

There total 16 articles about 3-Methyl-1-(4-methylphenyl)butan-1-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: 97.0%

: 108-88-3,15644-74-3,16713-13-6
toluene

: 108-12-3
isopentanoyl chloride

: 61971-91-3
3-methyl-1-p-tolyl-butan-1-one

Guidance literature:: aluminum (III) chloride; at 0 - 20 ℃; for 12h;

Reference yield: 91.0%

: 201230-82-2
carbon monoxide

: 624-31-7
4-tolyl iodide

: 40098-43-9,99591-51-2
diisobutyl[(1E)-oct-1-en-1-yl]aluminum

: 61971-91-3
3-methyl-1-p-tolyl-butan-1-one

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; zinc diacetate; In tetrahydrofuran; hexane; at 80 ℃; for 16h; under 22502.3 Torr; Autoclave; Inert atmosphere;
DOI:10.1021/acs.orglett.9b02923

Reference yield: 86.0%

: 816-66-0
4-methyl-2-oxopentanoic acid

: 624-31-7
4-tolyl iodide

: 61971-91-3
3-methyl-1-p-tolyl-butan-1-one

Guidance literature:: With dipotassium hydrogenphosphate; dibenzo[f,h]quinoxaline-2,3-dicarbonitrile; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 20 ℃; for 72h; Inert atmosphere; Irradiation;
DOI:10.1021/acs.joc.0c02945