2-Bromo-4-methylbenzoyl chloride

Base Information

• Chemical Name: 2-Bromo-4-methylbenzoyl chloride
• CAS No.: 53456-09-0
• Molecular Formula: C8H6BrClO
• Molecular Weight: 233.492
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30565273
• Wikidata: Q82450282
• Mol file: 53456-09-0.mol

Synonyms:2-Bromo-4-methylbenzoyl chloride;53456-09-0;2-Bromo-4-methyl-benzoyl chloride;Benzoyl chloride, 2-bromo-4-methyl-;SCHEMBL7017242;2-Bromo-4-methylbenzoylchloride;DTXSID30565273;MFCD12025347;AKOS017565445;AS-5951

Chemical Property of 2-Bromo-4-methylbenzoyl chloride

Chemical Property:

• Boiling Point: 277.8±20.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.574±0.06 g/cm3(Predicted)
• LogP: 3.13650
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 231.92906
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

95% ^*data from raw suppliers

2-Bromo-4-methylbenzoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-methylbenzoyl chloride

There total 1 articles about 2-Bromo-4-methylbenzoyl chloride 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: 93.0%

2-bromo-4-methylbenzoic acid (7697-27-0) → 4-methyl-2-bromobenzoyl chloride (53456-09-0)

Guidance literature:

With pyridine; oxalyl dichloride; In dichloromethane; at 0 - 25 ℃;

DOI:10.5012/bkcs.2013.34.10.3117

Reference yield: 96.0%

α-naphthol (90-15-3) + 4-methyl-2-bromobenzoyl chloride (53456-09-0) → naphthalen-1-yl 2-bromo-4-methylbenzoate (1211519-17-3)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 - 25 ℃;

DOI:10.1021/jm1000858

Reference yield: 94.0%

4-methyl-2-bromobenzoyl chloride (53456-09-0) + 4,6-pyrimidinediol (1193-24-4) → C20H14Br2N2O4 (1516898-06-8)

Guidance literature:

With triethylamine; In dichloromethane; at 25 ℃;

DOI:10.5012/bkcs.2013.34.10.3117

upstream raw materials:

2-bromo-4-methylbenzoic acid

Downstream raw materials:

4-methyl-2- bromobenzamide

N-benzyl-2-bromo-4-methylbenzamide

(2-bromophenyl-4-methyl)phenylmethanone

2-bromo-4-methylbenzophenone 4-methylphenylsulfonylhydrazone