2-Bromo-2-methyl-1-(4-methylphenyl)-1-propanone

Base Information

• Chemical Name: 2-Bromo-2-methyl-1-(4-methylphenyl)-1-propanone
• CAS No.: 14289-68-0
• Molecular Formula: C11H13BrO
• Molecular Weight: 241.128
• DSSTox Substance ID: DTXSID30462339
• Nikkaji Number: J1.856.984A
• Wikidata: Q82286858

Synonyms:2-bromo-2-methyl-1-(4-methylphenyl)-1-propanone;14289-68-0;2-bromo-2-methyl-1-(p-tolyl)propan-1-one;2-bromo-2-methyl-1-(4-methylphenyl)propan-1-one;SCHEMBL727083;DTXSID30462339;OSDWQWUJCJPFNB-UHFFFAOYSA-N

Chemical Property of 2-Bromo-2-methyl-1-(4-methylphenyl)-1-propanone

Chemical Property:

• Boiling Point: 132-133 °C(Press: 8 Torr)
• PSA: 17.07000
• Density: 1.314±0.06 g/cm3(Predicted)
• LogP: 3.35120
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 240.01498
• Heavy Atom Count: 13
• Complexity: 190

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2-methyl-1-(4-methylphenyl)-1-propanone

There total 7 articles about 2-Bromo-2-methyl-1-(4-methylphenyl)-1-propanone 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: 23.0%

4'-methylisobutyrophenone (50390-51-7) → 2-bromo-1-(4-(bromomethyl)phenyl)-2-methylpropan-1-one (868156-48-3) + 2-bromo-2-methyl-1-(4-methylphenyl)-1-propanone (14289-68-0)

Guidance literature:

With N-Bromosuccinimide; In neat (no solvent); at 27 ℃; for 21h; regioselective reaction; Irradiation;

DOI:10.1007/s11696-021-01711-x

Reference yield:

4'-methylisobutyrophenone (50390-51-7) → 2-bromo-2-methyl-1-(4-methylphenyl)-1-propanone (14289-68-0)

Guidance literature:

With phosphorus pentabromide; Petroleum ether;

Reference yield:

2-bromoisobutyric acid bromide (20769-85-1) + toluene (108-88-3,15644-74-3,16713-13-6) → 2-bromo-2-methyl-1-(4-methylphenyl)-1-propanone (14289-68-0)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jm500135c

upstream raw materials:

4'-methylisobutyrophenone

2-methyl-1-(p-tolyl)propan-1-ol

4-methyl-benzaldehyde

para-methylphenylmagnesium bromide

Downstream raw materials:

2,2,3,3-tetramethyl-1,4-bis(4-methylphenyl)butane-1,4-dione

N-<2-bromo-1-(4-methylphenyl)-1-propylidene>isopropylamine

2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran

2-methyl-1-(4-methylphenyl)-2-(2,3,5-trimethylphenoxy)propan-1-ol

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