Benzenesulfonic acid, 2-methyl-, methyl ester

Base Information

• Chemical Name: Benzenesulfonic acid, 2-methyl-, methyl ester
• CAS No.: 23373-38-8
• Molecular Formula: C8H10 O3 S
• Molecular Weight: 186.232
• European Community (EC) Number: 249-237-3
• DSSTox Substance ID: DTXSID9066885
• Nikkaji Number: J129.043F
• Wikidata: Q81993461
• Mol file: 23373-38-8.mol

Synonyms:Methyl 2-methylbenzenesulfonate;23373-38-8;Benzenesulfonic acid, 2-methyl-, methyl ester;Methyl toluenesulphonate;Benzenesulfonic acid, methyl-, methyl ester;2-Methylbenzenesulfonic acid, methyl ester;Methyl o-toluenesulfonate;SCHEMBL260819;DTXSID9066885;Methyl 2-methylbenzenesulfonate #;EINECS 249-237-3;2-Methylbenzenesulfonic acid methyl ester;W-110741

Chemical Property of Benzenesulfonic acid, 2-methyl-, methyl ester

Chemical Property:

• Boiling Point: 289.2°Cat760mmHg
• Flash Point: 128.7°C
• Density: 1.21g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.03506535
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1S(=O)(=O)OC

Technology Process of Benzenesulfonic acid, 2-methyl-, methyl ester

There total 2 articles about Benzenesulfonic acid, 2-methyl-, methyl ester 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: 56.0%

methanol (67-56-1) + 2-methylphenyl diazonium tetrafluoroborate (2093-46-1) → methyl toluenesulphonate (23373-38-8)

Guidance literature:

With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate; trifluoroacetic acid; copper(ll) bromide; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.8b00447

Reference yield:

sodium methylate (124-41-4) + Toluene-2-sulfonyl chloride (133-59-5) → methyl toluenesulphonate (23373-38-8)

Guidance literature:

With methanol;

Reference yield:

2-Methylbenzothiazole (120-75-2) + methyl toluenesulphonate (23373-38-8) → 2,3-dimethylbenzothiazolium toluene-4-sulfonate (2654-52-6)

Guidance literature:

upstream raw materials:

sodium methylate

Toluene-2-sulfonyl chloride

methanol

2-methylphenyl diazonium tetrafluoroborate

Downstream raw materials:

1-Methyl-2-[N-(4-thiocarbamoyl-phenyl)aminomethyl]-indol-5-yl-carboxylic acid-N-phenyl-N-(2-methoxycarbonylethyl)-amide

2,3-dimethylbenzothiazolium toluene-4-sulfonate