2-(Chloromethyl)-1-methoxy-4-methylbenzene

Base Information

• Chemical Name: 2-(Chloromethyl)-1-methoxy-4-methylbenzene
• CAS No.: 7048-41-1
• Molecular Formula: C23H16ClFO3
• Molecular Weight: 170.639
• Hs Code.: 2909309090
• European Community (EC) Number: 824-616-1
• DSSTox Substance ID: DTXSID10407086
• Wikidata: Q82212317
• Mol file: 7048-41-1.mol

Synonyms:2-(chloromethyl)-1-methoxy-4-methylbenzene;7048-41-1;2-METHOXY-5-METHYLBENZYL CHLORIDE;SCHEMBL5471787;2-Methoxy-5-methylbenzylchlorid;DTXSID10407086;FTWAMZVALPAXGP-UHFFFAOYSA-N;MFCD06655823;AKOS001115600;BS-24531;EN300-13378;Z90122765

Chemical Property of 2-(Chloromethyl)-1-methoxy-4-methylbenzene

Chemical Property:

• Vapor Pressure: 0.0711mmHg at 25°C
• Boiling Point: 236.8°C at 760 mmHg
• Flash Point: 101.8°C
• PSA: 9.23000
• Density: 1.084g/cm³
• LogP: 2.74240
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

97% ^*data from raw suppliers

2-(chloromethyl)-1-methoxy-4-methylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)CCl

Technology Process of 2-(Chloromethyl)-1-methoxy-4-methylbenzene

There total 8 articles about 2-(Chloromethyl)-1-methoxy-4-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: 100.0%

→ 2-methoxy-5-methylbenzyl chloride (7048-41-1)

Guidance literature:

Reference yield: 82.0%

(2-methoxy-5-methylphenyl)methanol (7048-40-0) → 2-methoxy-5-methylbenzyl chloride (7048-41-1)

Guidance literature:

With pyridine; thionyl chloride; In toluene; 0 deg C to r.t.;

DOI:10.1016/S0223-5234(98)80044-5

Reference yield: 78.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-methylanizole (104-93-8) → 2-methoxy-5-methylbenzyl chloride (7048-41-1)

Guidance literature:

With hydrogenchloride; In benzene; at 25 ℃; for 4h;

DOI:10.1021/jo00164a004

upstream raw materials:

formaldehyd

p-methylanizole

chloromethyl methyl ether

acetic acid

Downstream raw materials:

(2-methoxy-5-methylphenyl)-acetonitrile

2,4-dimethylanisole

(+/-)-3-(1-ethoxycarbonyl-ethylcarbamoyl)-1-(2-methoxy-5-methyl-benzyl)-quinolinium; chloride

2-methoxy-5-methyl-benzyl-N,N-diisopropyl-dithiocarbamate