4-(Bromomethyl)-1-chloro-2-methylbenzene

Base Information

• Chemical Name: 4-(Bromomethyl)-1-chloro-2-methylbenzene
• CAS No.: 117890-58-1
• Molecular Formula: C₈H₈BrCl
• Molecular Weight: 219.509
• European Community (EC) Number: 822-733-2
• Mol file: 117890-58-1.mol

Synonyms:117890-58-1;4-(BROMOMETHYL)-1-CHLORO-2-METHYLBENZENE;Benzene, 4-(bromomethyl)-1-chloro-2-methyl-;4-(BROMOMETHYL)-1-CHLORO-2-METHYL-BENZENE;SCHEMBL583557;FT-0713255;EN300-225025

Chemical Property of 4-(Bromomethyl)-1-chloro-2-methylbenzene

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 217.94979
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

4-(Bromomethyl)-1-chloro-2-methyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Bromomethyl)-1-chloro-2-methylbenzene

There total 3 articles about 4-(Bromomethyl)-1-chloro-2-methylbenzene 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: 80.0%

4-chloro-3-methylbenzyl alcohol (131271-19-7) → 4-(bromomethyl)-1-chloro-2-methylbenzene (117890-58-1)

Guidance literature:

With phosphorus tribromide; In toluene; at 40 - 100 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1021/ma1024494

Reference yield:

2,4-dimethylchlorobenzene (95-66-9) → 4-(bromomethyl)-1-chloro-2-methylbenzene (117890-58-1)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide;

DOI:10.1021/ja01530a030

Reference yield:

4-chloro-3-methylbenzoic acid (7697-29-2) → 4-(bromomethyl)-1-chloro-2-methylbenzene (117890-58-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diborane / tetrahydrofuran / 1.5 h / 0 °C

2: PBr₃ / toluene / 0.17 h / 100 °C

With phosphorus tribromide; diborane; In tetrahydrofuran; toluene;

DOI:10.1021/jm00128a016

upstream raw materials:

2,4-dimethylchlorobenzene

4-chloro-3-methylbenzyl alcohol

4-chloro-3-methylbenzoic acid

Downstream raw materials:

6-Chloro-9-(4-chloro-3-methyl-benzyl)-2-trifluoromethyl-9H-purine

1-(4-chloro-3-methyl-benzyl)-piperidin-4-one

C₁₇H₂₁ClN₂O₄*ClH

diethyl 4-chloro-3-methylbenzylphosphonate