4-Chloro-2-methylbenzoic acid

Base Information

• Chemical Name: 4-Chloro-2-methylbenzoic acid
• CAS No.: 7499-07-2
• Molecular Formula: C8H7 Cl O2
• Molecular Weight: 170.595
• Hs Code.: 29163990
• European Community (EC) Number: 917-372-3,625-372-7
• NSC Number: 407521
• DSSTox Substance ID: DTXSID60324678
• Nikkaji Number: J855.110C
• Wikidata: Q72453705
• Mol file: 7499-07-2.mol

Synonyms:4-Chloro-2-methylbenzoic acid;7499-07-2;4-chloro-2-methylbenzoicacid;Benzoic acid, 4-chloro-2-methyl-;4-Chloro-o-toluic acid;MFCD00045852;4-chloro-2-methyl-benzoic acid;NSC407521;o-Toluic acid, 4-chloro-;SCHEMBL109654;2-methyl-4-chlorobenzoic acid;DTXSID60324678;CL8113;4-Chloro-2-methylbenzoic acid, 96%;AKOS005258514;AC-9040;CS-W008346;FS-1530;NSC 407521;NSC-407521;SY017097;AM20060096;C2508;FT-0636510;EN300-109228;AE-842/31479031;J-514969;Z1203161814

Chemical Property of 4-Chloro-2-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.000504mmHg at 25°C
• Melting Point: 167-171 °C(lit.)
• Boiling Point: 300.3 °C at 760 mmHg
• PKA: 3.63±0.25(Predicted)
• Flash Point: 135.4 °C
• Density: 1.31 g/cm³
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0134572
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Chloro-2-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XnXi
• Hazard Codes: Xn,Xi
• Statements: 22-41
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)Cl)C(=O)O
• Uses: 4-Chloro-2-methylbenzoic acid can be used in the synthesis of:4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid4-chloro-2-methyl-3-nitrobenzoic acid methyl ester

Technology Process of 4-Chloro-2-methylbenzoic acid

There total 35 articles about 4-Chloro-2-methylbenzoic 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: 98.0%

4-chloro-1,2-dimethylbenzene (615-60-1) → 4-chloro-2-methylbenzoic acid (7499-07-2)

Guidance literature:

With ruthenium(II) chloride; sodium hydroxide; sodium hypochlorite; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; at 25 ℃; for 2h;

DOI:10.1039/a707676b

Reference yield: 95.0%

2,N-dimethyl-4-chloro-benzanilide (146516-71-4) → 4-chloro-2-methylbenzoic acid (7499-07-2)

Guidance literature:

With sulfuric acid; for 6h;

DOI:10.1007/BF00808275

Reference yield: 93.0%

4-chloro-2-iodo-6-methylbenzoic acid (1048025-62-2) → 4-chloro-2-methylbenzoic acid (7499-07-2)

Guidance literature:

With 4-methyl-morpholine; tetrahydroxydiboron; 5%-palladium/activated carbon; In 1,2-dichloro-ethane; at 50 ℃; for 8h;

DOI:10.1002/adsc.201901099

upstream raw materials:

4-chloro-2-methylbenzonitrile

4-methyl-4-(trichloromethyl)cyclohexa-2,5-dien-1-one

o-(Methyl)-p-chloroacetophenone

2-methyl-4-chlorobenzaldehyde

Downstream raw materials:

4-chloro-2-methyl-benzoic acid ethyl ester

4-chlorophthalic acid

4-chloro-2-methylbenzoyl chloride

4-chloro-2-methyl-3-nitro-benzoic acid

Refernces

• 1、 Liu, Hui-Min,Jian, Lei,Li, Chao,Zhang, Chun-Chun,Fu, Hai-Yan,Zheng, Xue-Li,Chen, Hua,Li, Rui-Xiang. "Dehydrogenation of Alcohols to Carboxylic Acid Catalyzed by in Situ-Generated Facial Ruthenium- CPP Complex". . p. 9151 - 9160. Retrieved 2019/08/12.
• 2、 -. "DIPEPTIDYL PEPTIDASE-IV INHIBITORS". Page/Page column 97-98. . Retrieved 2008/06/13.