4-Chloro-3,5-dimethylanisole

Base Information

• Chemical Name: 4-Chloro-3,5-dimethylanisole
• CAS No.: 6981-15-3
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• European Community (EC) Number: 615-016-9
• DSSTox Substance ID: DTXSID10344644
• Nikkaji Number: J2.114.811C
• Wikidata: Q82116651

Synonyms:4-CHLORO-3,5-DIMETHYLANISOLE;6981-15-3;2-Chloro-5-methoxy-1,3-dimethylbenzene;Benzene, 2-chloro-5-methoxy-1,3-dimethyl-;2-Chloro-5-methoxy-m-xylene;SCHEMBL3749321;DTXSID10344644;AKOS006228908;Anisole, 4-chloro-, 3,5-dimethyl-;4-chloro-3,5-dimethylphenyl methyl ether;2-Chloro-5-methoxy-1,3-dimethylbenzene #

Chemical Property of 4-Chloro-3,5-dimethylanisole

Chemical Property:

• Vapor Pressure: 0.068mmHg at 25°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1Cl)C)OC

Technology Process of 4-Chloro-3,5-dimethylanisole

There total 4 articles about 4-Chloro-3,5-dimethylanisole 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: 82.0%

3,5-dimethylmethoxybenzene (874-63-5) → 4-chloro-3,5-dimethylanisole (6981-15-3)

Guidance literature:

With N-chloro-succinimide; ammonium cerium (IV) nitrate; In neat (no solvent); at 20 ℃; for 1.5h; chemoselective reaction; Green chemistry;

DOI:10.1016/j.tetlet.2014.02.064

Reference yield:

4-Chloro-3,5-dimethylphenol (88-04-0) + methyl iodide (74-88-4) → 5-(3-chloro-6-methoxy-2,4-dimethyl benzyl)-N'-(1,3,4-trimethyl-(H-pyrazolo[3,4-b]pyridin-6-yl-2-furohydrazide + 4-chloro-3,5-dimethylanisole (6981-15-3)

Guidance literature:

With potassium carbonate; In acetone;

Reference yield:

4-Chloro-3,5-dimethylphenol (88-04-0) + dimethyl sulfate (77-78-1) → 4-chloro-3,5-dimethylanisole (6981-15-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01260a011

upstream raw materials:

4-Chloro-3,5-dimethylphenol

dimethyl sulfate

3,5-dimethylmethoxybenzene

methyl iodide

Downstream raw materials:

4-(3-chloro-6-methoxy-2,4-dimethyl-phenyl)-4-oxo-butyric acid

4-chloro-2-chloromethyl-3,5-dimethyl-anisole

4-Chloro-3,5-dimethylphenol

3-chloro-6-methoxy-2,4-dimethylacetophenone

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