5-Chloro-2-methoxy-1,3-dimethylbenzene

Base Information

• Chemical Name: 5-Chloro-2-methoxy-1,3-dimethylbenzene
• CAS No.: 14804-27-4
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• DSSTox Substance ID: DTXSID80571940
• Nikkaji Number: J1.028.150D
• Wikidata: Q82460137
• Mol file: 14804-27-4.mol

Synonyms:4-Chloro-2,6-dimethylanisole;5-chloro-2-methoxy-1,3-dimethylbenzene;14804-27-4;SCHEMBL12504651;DTXSID80571940;AKOS006287522;5-chloranyl-2-methoxy-1,3-dimethyl-benzene;A802560

Chemical Property of 5-Chloro-2-methoxy-1,3-dimethylbenzene

Chemical Property:

• Boiling Point: 224.6±35.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.080±0.06 g/cm3(Predicted)
• LogP: 2.96540
• 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:

4-Chloro-2,6-dimethylanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC)C)Cl

Technology Process of 5-Chloro-2-methoxy-1,3-dimethylbenzene

There total 5 articles about 5-Chloro-2-methoxy-1,3-dimethylbenzene 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: 96.0%

2-methoxy-1,3-dimethylbenzene (1004-66-6) → 4-chloro-2,6-dimethylphenyl methyl ether (14804-27-4)

Guidance literature:

With kaolin; sodium chlorite; manganese(III) acetylacetonate; In dichloromethane; at 25 ℃; for 1.16667h;

DOI:10.1039/a804043e

Reference yield: 71.0%

4-chloro-2-iodo-1-methoxybenzene (52807-27-9) + carbonic acid dimethyl ester (616-38-6) → 4-chloro-2,6-dimethylphenyl methyl ether (14804-27-4)

Guidance literature:

4-chloro-2-iodo-1-methoxybenzene; With tetrabutylammomium bromide; potassium carbonate; palladium dichloride; In N,N-dimethyl acetamide; Schlenk technique; Inert atmosphere;

carbonic acid dimethyl ester; In N,N-dimethyl acetamide; at 105 ℃; for 12h; regioselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1021/jacs.0c13057

Reference yield:

2,6-dimethyl-4-chlorophenol (1123-63-3) + dimethyl sulfate (77-78-1) → 4-chloro-2,6-dimethylphenyl methyl ether (14804-27-4)

Guidance literature:

DOI:10.1139/v66-425

upstream raw materials:

2,6-dimethyl-4-chlorophenol

dimethyl sulfate

2-methoxy-1,3-dimethylbenzene

4-chloro-2-iodo-1-methoxybenzene

Downstream raw materials:

dimethyl 5-chloro-2-methoxybenzene-1,3-dicarboxylate

(R)-(-)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-(1H)-2-benzopyran-7-carboxylic acid

5-chloro-2-methoxybenzene-1,3-dicarboxylic acid

(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromene-7-carboxylic acid

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