2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone

Base Information

Chemical Name:2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone
CAS No.:81112-02-9
Molecular Formula:C₁₅H₂₁BrO
Molecular Weight:297.235
Hs Code.:
DSSTox Substance ID:DTXSID501190912

Synonyms:SCHEMBL10800168;DTXSID501190912;2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone;81112-02-9

Suppliers and Price of 2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone

Supply Marketing:

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

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Chemical Property of 2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:296.07758
Heavy Atom Count:17
Complexity:257

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone

There total 3 articles about 2-Bromo-1-[4-(1,1-dimethylethyl)phenyl]-3-methyl-1-butanone 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: 72.0%

: 81112-01-8
1-(4-(tert-butyl)phenyl)-3-methylbutan-1-one

: 81112-02-9
2-Bromo-1-(4-tert-butyl-phenyl)-3-methyl-butan-1-one

Guidance literature:: With bromine; In 1,4-dioxane; diethyl ether;
DOI:10.1016/S0040-4039(01)82941-5

Reference yield:

: 253185-03-4,253185-04-5
tert-butylbenzene

: 81112-02-9
2-Bromo-1-(4-tert-butyl-phenyl)-3-methyl-butan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / AlCl₃ / CS₂

2: 72 percent / Br₂ / diethyl ether; dioxane

With bromine; aluminium trichloride; In 1,4-dioxane; carbon disulfide; diethyl ether;
DOI:10.1016/S0040-4039(01)82941-5

Reference yield:

: 108-12-3
isopentanoyl chloride

: 81112-02-9
2-Bromo-1-(4-tert-butyl-phenyl)-3-methyl-butan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / AlCl₃ / CS₂

2: 72 percent / Br₂ / diethyl ether; dioxane

With bromine; aluminium trichloride; In 1,4-dioxane; carbon disulfide; diethyl ether;
DOI:10.1016/S0040-4039(01)82941-5