3-Chloromethyl-2,6-dimethyl-benzoic acid

Base Information

Chemical Name:3-Chloromethyl-2,6-dimethyl-benzoic acid
CAS No.:179554-33-7
Molecular Formula:C₁₀H₁₁ClO₂
Molecular Weight:198.649
Hs Code.:
DSSTox Substance ID:DTXSID00468989
Wikidata:Q82296526

Synonyms:179554-33-7;3-CHLOROMETHYL-2,6-DIMETHYL-BENZOIC ACID;SCHEMBL8793515;DTXSID00468989;AKOS006288878

Suppliers and Price of 3-Chloromethyl-2,6-dimethyl-benzoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-Chloromethyl-2,6-dimethyl-benzoic acid

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.0447573
Heavy Atom Count:13
Complexity:193

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C=C1)CCl)C)C(=O)O

Technology Process of 3-Chloromethyl-2,6-dimethyl-benzoic acid

There total 1 articles about 3-Chloromethyl-2,6-dimethyl-benzoic acid 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: 74.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 632-46-2
2,6-dimethylbenzoic acid

: 179554-33-7
2,6-dimethyl-3-(chloromethyl)benzoic acid

Guidance literature:: With hydrogenchloride; acetic acid; at 80 ℃; for 5h;
DOI:10.1021/jm0600186

Reference yield:

: 179554-33-7
2,6-dimethyl-3-(chloromethyl)benzoic acid

: 2,6-dimethyl-3-nitrooxymethyl-benzoic acid 2-butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazol-4-ylmethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / AgNO₃ / acetonitrile / 2 h / 25 °C

2: 34 percent / N,N'-dicyclohexylcarbodiimide; N,N-dimethylaminopyridine / tetrahydrofuran / 12 h / 25 °C

With dmap; silver nitrate; dicyclohexyl-carbodiimide; In tetrahydrofuran; acetonitrile;
DOI:10.1021/jm0600186