3,3-Dimethyl-1-(4-methylphenyl)butan-2-one

Base Information

Chemical Name:3,3-Dimethyl-1-(4-methylphenyl)butan-2-one
CAS No.:61394-79-4
Molecular Formula:C13H18O
Molecular Weight:190.285
Hs Code.:
DSSTox Substance ID:DTXSID40542550
Wikidata:Q82419255

Synonyms:3,3-Dimethyl-1-(4-methylphenyl)butan-2-one;61394-79-4;SCHEMBL11389533;DTXSID40542550

Suppliers and Price of 3,3-Dimethyl-1-(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 3,3-Dimethyl-1-(4-methylphenyl)butan-2-one

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:190.135765193
Heavy Atom Count:14
Complexity:192

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3,3-Dimethyl-1-(4-methylphenyl)butan-2-one

There total 4 articles about 3,3-Dimethyl-1-(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: 43.0%

: 75-97-8
3,3-dimethyl-butan-2-one

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

: 61394-79-4
3,3-dimethyl-1-(p-tolyl)butan-2-one

Guidance literature:: toluene; With thianthrene-5-oxide; trifluoromethylsulfonic anhydride; In acetonitrile; at -20 - 20 ℃; for 0.666667h; Inert atmosphere; Schlenk technique;

3,3-dimethyl-butan-2-one; With palladium diacetate; cesium fluoride; XPhos; In N,N-dimethyl-formamide; acetonitrile; at 80 ℃; for 11h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.orglett.0c02913

Reference yield: 36.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 106-43-4
para-chlorotoluene

: 61394-79-4
3,3-dimethyl-1-(p-tolyl)butan-2-one

Guidance literature:: With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; N-[2-(di(1-adamantyl)phosphino)phenyl]morpholine; caesium carbonate; sodium t-butanolate; In 1,4-dioxane; at 90 ℃; for 48h; Inert atmosphere; Sealed tube;
DOI:10.1002/ejoc.201200951