2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-propanone

Base Information

• Chemical Name: 2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-propanone
• CAS No.: 147834-58-0
• Molecular Formula: C₁₄H₁₉BrO
• Molecular Weight: 283.208
• DSSTox Substance ID: DTXSID001224180

Synonyms:DTXSID001224180;2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-propanone;147834-58-0

Chemical Property of 2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-propanone

Chemical Property:

• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 282.06193
• Heavy Atom Count: 16
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1C)C)C(=O)C(C)Br)C)C

Technology Process of 2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-1-propanone

There total 1 articles about 2-Bromo-1-(2,3,4,5,6-pentamethylphenyl)-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:

1-(2,3,4,5,6-pentamethylphenyl)propan-1-one (2040-17-7) → 2,3,4,5,6-pentamethyl-1-(α-bromopropionyl)benzene (147834-58-0)

Guidance literature:

With bromine; acetic acid; Yield given; Ambient temperature;

DOI:10.1016/S0040-4020(01)86258-X

Reference yield: 77.0%

2,3,4,5,6-pentamethyl-1-(α-bromopropionyl)benzene (147834-58-0) → 2-(nitromethyl)-3,4,5,6-tetramethyl-1-(α-bromopropionyl)benzene (147834-71-7)

Guidance literature:

With nitric acid; acetic anhydride; at 0 - 5 ℃; for 2h;

DOI:10.1016/S0040-4020(01)86258-X

upstream raw materials:

1-(2,3,4,5,6-pentamethylphenyl)propan-1-one

Downstream raw materials:

2-(nitromethyl)-3,4,5,6-tetramethyl-1-(α-bromopropionyl)benzene

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