Methyl 4-chloro-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 4-chloro-2-hydroxybenzoate
• CAS No.: 22717-55-1
• Molecular Formula: C8H7 Cl O3
• Molecular Weight: 186.595
• Hs Code.: 2918290000
• European Community (EC) Number: 607-143-3
• NSC Number: 300575
• DSSTox Substance ID: DTXSID60316179
• Nikkaji Number: J48.624H
• Wikidata: Q82069825
• Mol file: 22717-55-1.mol

Synonyms:methyl 4-chloro-2-hydroxybenzoate;22717-55-1;Methyl 4-chlorosalicylate;MFCD03407436;4-Chloro-2-hydroxy-benzoic acid methyl ester;Benzoic acid, 4-chloro-2-hydroxy-, methyl ester;NSC 300575;methyl 4-chloro-2-hydroxy-benzoate;NSC300575;methyl 4-chloro-salicylate;SCHEMBL1058422;DTXSID60316179;4-Chlorosalicylic acid methyl ester;STK429481;AKOS003306452;NSC-300575;AM803551;SY101652;TS-02616;CS-0037284;EN300-29834;W10273;A878464;J-014822;Z25116596

Chemical Property of Methyl 4-chloro-2-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.0195mmHg at 25°C
• Boiling Point: 244.4°Cat760mmHg
• PKA: 8.79±0.10(Predicted)
• Flash Point: 101.6°C
• PSA: 46.53000
• Density: 1.354g/cm³
• LogP: 1.83220
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

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

Methyl4-Chloro-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C=C(C=C1)Cl)O

Technology Process of Methyl 4-chloro-2-hydroxybenzoate

There total 7 articles about Methyl 4-chloro-2-hydroxybenzoate 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%

4-chlorosalicylic acid (5106-98-9) + methyl iodide (74-88-4) → methyl 4-chloro-2-hydroxybenzoate (22717-55-1)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2019.03.052

Reference yield: 98.0%

methanol (67-56-1) + 4-chlorosalicylic acid (5106-98-9) → methyl 4-chloro-2-hydroxybenzoate (22717-55-1)

Guidance literature:

With sulfuric acid; for 18h; Inert atmosphere; Reflux;

DOI:10.1016/j.tetlet.2014.06.060

Reference yield: 96.0%

methyl salicylate (119-36-8,8024-54-2) → methyl 4-chloro-2-hydroxybenzoate (22717-55-1)

Guidance literature:

With chlorine; iodine; at 70 ℃; for 2.5h;

upstream raw materials:

methanol

4-chlorosalicylic acid

methyl salicylate

methyl iodide

Downstream raw materials:

4-chloro-2-hydroxy-benzoic acid-(2-hydroxy-ethylamide)

methyl 4-chloro-2-[(2-methylprop-2-en-1-yl)oxy]benzoate

methyl 4-chloro-2-(((trifluoromethyl)sulfonyl)oxy)benzoate

methyl 4-chloro-2-(4-(2-methoxy-2-oxoethyl)-2-nitrophenoxy)benzoate

Refernces

• 1、 -. "METHOD FOR SYNTHESIZING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT AND COMPOUND PRODUCED BY THE SAME". Paragraph 0151-0155. . Retrieved 2020/09/03.
• 2、 Hu, Xiaojing,Lai, Huimin,Zhao, Fangfei,Hu, Shuyu,Sun, Qianqian,Fang, Lizhen. "Microwave-Assisted Synthesis of Benzofuran-3(2H)-ones". . p. 745 - 750. Retrieved 2019/10/14.