1-(Chloromethyl)-4,5-dimethoxy-2-methylbenzene

Base Information

• Chemical Name: 1-(Chloromethyl)-4,5-dimethoxy-2-methylbenzene
• CAS No.: 7537-05-5
• Molecular Formula: C10H13ClO2
• Molecular Weight: 200.66
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID20392292
• Wikidata: Q82190394
• Mol file: 7537-05-5.mol

Synonyms:1-(chloromethyl)-4,5-dimethoxy-2-methylbenzene;7537-05-5;DTXSID20392292;AKOS009003304;CS-0280349;EN300-07767

Chemical Property of 1-(Chloromethyl)-4,5-dimethoxy-2-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0045mmHg at 25°C
• Boiling Point: 286.6°C at 760 mmHg
• Flash Point: 107°C
• PSA: 18.46000
• Density: 1.106g/cm³
• LogP: 2.75100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.0604073
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

1-(CHLOROMETHYL)-4,5-DIMETHOXY-2-METHYLBENZENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1CCl)OC)OC

Technology Process of 1-(Chloromethyl)-4,5-dimethoxy-2-methylbenzene

There total 3 articles about 1-(Chloromethyl)-4,5-dimethoxy-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: 64.0%

1,2-dimethoxy-4-methylbenzene (494-99-5) + chloromethyl methyl ether (107-30-2) → 1-(chloromethyl)-4,5-dimethoxy-2-methylbenzene (7537-05-5)

Guidance literature:

With acetic acid; Ambient temperature;

DOI:10.3987/R-1987-10-2683

Reference yield:

2-Methyl-4,5-dimethoxy-benzylalkohol (90926-82-2) → 1-(chloromethyl)-4,5-dimethoxy-2-methylbenzene (7537-05-5)

Guidance literature:

With thionyl chloride; In dichloromethane; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/jo4013964

Reference yield:

4,5-dimethoxy-2-methylbenzoic acid (20736-28-1,131035-49-9) → 1-(chloromethyl)-4,5-dimethoxy-2-methylbenzene (7537-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfide borane complex / tetrahydrofuran / 0 - 20 °C

2: thionyl chloride / dichloromethane / 0.5 h / 0 - 20 °C / Inert atmosphere

With thionyl chloride; dimethylsulfide borane complex; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jo4013964

upstream raw materials:

1,2-dimethoxy-4-methylbenzene

chloromethyl methyl ether

4,5-dimethoxy-2-methylbenzoic acid

2-Methyl-4,5-dimethoxy-benzylalkohol

Downstream raw materials:

2-(4,5-Dimethoxy-2-methyl-benzyl)-isoindole-1,3-dione

4,5-dimethoxy-2-methylbenzyl cyanide

2-(4,5-Dimethoxy-2-methyl-phenyl)-3-oxo-butyronitrile

2-[2-(4,5-Dimethoxy-2-methyl-phenyl)-ethyl]-4,5-dimethoxy-isoindole-1,3-dione