Methyl 3-chloro-2-hydroxybenzoate

Base Information

• Chemical Name: Methyl 3-chloro-2-hydroxybenzoate
• CAS No.: 52159-67-8
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2918290000
• European Community (EC) Number: 257-694-5
• UNII: 3V9LCX453D
• DSSTox Substance ID: DTXSID30200177
• Nikkaji Number: J279.463B
• Mol file: 52159-67-8.mol

Synonyms:methyl 3-chloro-2-hydroxybenzoate;52159-67-8;Methyl 3-chlorosalicylate;Methyl-3-Chloro-2-hydroxybenzoate;Benzoic acid, 3-chloro-2-hydroxy-, methyl ester;3V9LCX453D;EINECS 257-694-5;3-Chloro-2-hydroxybenzoic acid methyl ester;Methyl3-chloro-2-hydroxybenzoate;methyl-3-chloro-salicylate;UNII-3V9LCX453D;SCHEMBL2796868;METHYL M-CHLOROSALICYLATE;DTXSID30200177;CL8549;MFCD00128116;AKOS006271862;CS-W006044;FS-3137;AC-28688;FT-0703921;EN300-1615099;A848117

Chemical Property of Methyl 3-chloro-2-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.0276mmHg at 25°C
• Melting Point: 29-32 °C
• Refractive Index: 1.564
• Boiling Point: 238.4 °C at 760 mmHg
• PKA: 8.28±0.10(Predicted)
• Flash Point: 98 °C
• PSA: 46.53000
• Density: 1.354 g/cm³
• LogP: 1.83220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• 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%Min ^*data from raw suppliers

Methyl3-chloro-2-hydroxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-chloro-2-hydroxybenzoate

There total 7 articles about Methyl 3-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%

methanol (67-56-1) + 3-chloro-2-hydroxy-thiobenzoic acid S-methyl ester (116025-20-8) → methyl 3-chloro-2-hydroxybenzoate (52159-67-8)

Guidance literature:

With lithium hydroxide; at 20 ℃; for 6h;

DOI:10.1039/b316802f

Reference yield: 36.0%

4-chloro-1-methoxy-1,3-bis-(trimethylsilyloxy)buta-1,3-diene (1021178-39-1) + malonaldehydebis(dimethylacetal) (102-52-3) → methyl 3-chloro-2-hydroxybenzoate (52159-67-8)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 - 20 ℃; for 20h;

DOI:10.1016/j.tetlet.2008.01.139

Reference yield:

methanol (67-56-1) + 3-Chloro-2-hydroxybenzoic acid (1829-32-9) → methyl 3-chloro-2-hydroxybenzoate (52159-67-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1359/jbmr.2001.16.3.466

upstream raw materials:

methanol

3-Chloro-2-hydroxybenzoic acid

chloropicrin

methyl salicylate

Downstream raw materials:

7-chloro-3-benzofuranone

Refernces

• 1、 Wolf, Verena,Adeel, Muhammad,Reim, Stefanie,Villinger, Alexander,Fischer, Christine,Langer, Peter. "Diversity-oriented synthesis of chlorinated arenes by one-pot cyclizations of 4-chloro-1,3-bis(trimethylsilyloxy)buta-1,3-dienes". experimental part. p. 5854 - 5867. Retrieved 2010/03/04.
• 2、 Dobler, Markus R.. "A short and efficient preparation of methyl-[1,2,4]oxadiazolium derivatives with plant-inducing activity". . p. 963 - 964. Retrieved 2007/10/03.