1-(2-Bromo-4-methylphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Bromo-4-methylphenyl)ethanone
• CAS No.: 103286-27-7
• Molecular Formula: C9H9BrO
• Molecular Weight: 213.074
• Hs Code.: 2914700090
• European Community (EC) Number: 894-893-1
• DSSTox Substance ID: DTXSID50461243
• Nikkaji Number: J586.560C
• Wikidata: Q72446523
• Mol file: 103286-27-7.mol

Synonyms:1-(2-BROMO-4-METHYLPHENYL)ETHANONE;103286-27-7;Ethanone, 1-(2-bromo-4-methylphenyl)-;SCHEMBL1329346;DTXSID50461243;MFCD08061386;AKOS017558419;AB90267;1-(2-Bromo-4-methyl-phenyl)-ethanone;1-(2-bromo-4-methylphenyl)ethan-1-one;AM806696;AS-40725;CS-0153338;FT-0775157;EN300-175780;A857514;A1-05209

Chemical Property of 1-(2-Bromo-4-methylphenyl)ethanone

Chemical Property:

• Boiling Point: 134-136℃ (15 Torr)
• PSA: 17.07000
• Density: 1.388±0.06 g/cm3(Predicted)
• LogP: 2.96010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Bromo-4-methylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2-Bromo-4-methylphenyl)ethanone

There total 9 articles about 1-(2-Bromo-4-methylphenyl)ethanone 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: 85.0%

1-(2′-bromo-4′-methylphenyl)ethan-1-ol → 2-bromo-4-methylacetophenone (103286-27-7)

Guidance literature:

With silica gel; pyridinium chlorochromate; In dichloromethane; at 20 ℃;

DOI:10.1002/anie.202002289

Reference yield: 67.0%

2-bromo-1-ethynyl-4-methylbenzene (947546-75-0) → 2-bromo-4-methylacetophenone (103286-27-7)

Guidance literature:

With ethyl 2-hydroxypropionate; water; at 110 ℃; Green chemistry;

DOI:10.1016/j.molliq.2021.115758

Reference yield: 53.8%

meta-bromotoluene (591-17-3) + acetyl chloride (75-36-5) → 2-bromo-4-methylacetophenone (103286-27-7) + 1-(4-bromo-2-methylphenyl)ethan-1-one (65095-33-2)

Guidance literature:

With aluminium trichloride; In dichloromethane; Ambient temperature;

DOI:10.1021/jo982392m

upstream raw materials:

meta-bromotoluene

acetic anhydride

acetyl chloride

4-methyl-2-bromobenzoyl chloride

Downstream raw materials:

1-(4-methyl-2-phenoxy-phenyl)-ethanone

2-bromo-4-methyl-5-nitroacetophenone

para-methylacetophenone

N-[3-Methyl-2-(4-methyl-benzoyl)-benzofuran-6-yl]acetamide