Methyl p-toluenesulfinate

Base Information

• Chemical Name: Methyl p-toluenesulfinate
• CAS No.: 672-78-6
• Molecular Formula: C8H10O2S
• Molecular Weight: 170.232
• Hs Code.: 2930909090
• European Community (EC) Number: 820-417-9
• DSSTox Substance ID: DTXSID301254899
• Nikkaji Number: J694.648H
• Mol file: 672-78-6.mol

Synonyms:672-78-6;methyl p-toluenesulfinate;METHYL 4-METHYLBENZENESULFINATE;methyl 4-methylbenzene-1-sulfinate;METHYLP-TOLUENESULFINATE;p-Toluenesulfinic Acid Methyl Ester;(+) Methyl-p-toluenesulfinate;SCHEMBL7717102;(+/-) Methyl-p-toluenesulfinate;MGPLBSPZSIFUQX-UHFFFAOYSA-N;DTXSID301254899;AKOS006273339;4-Methylbenzenesulfinic acid methyl ester;AS-83232;4-Methyl-benzenesulfinic acid methyl ester;CS-0146831;FT-0695827;Benzenesulfinic acid, 4-methyl-, methyl ester;D92807;EN300-379604

Chemical Property of Methyl p-toluenesulfinate

Chemical Property:

• Boiling Point: 86-88 °C(Press: 4 Torr)
• PSA: 45.51000
• Density: 1.22±0.1 g/cm3(Predicted)
• LogP: 2.52970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.04015073
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

98% ^*data from raw suppliers

p-ToluenesulfinicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)OC
• Uses: p-Toluenesulfinic Acid Methyl Ester is an intermediate in the synthesis of Sulfonamides.

Technology Process of Methyl p-toluenesulfinate

There total 116 articles about Methyl p-toluenesulfinate 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: 80.0%

methanol (67-56-1) + 4-Methyl-benzenesulfinic acid isopropyl-methyl-amide (116560-15-7) → N-methylpropan-2-amine (4747-21-1) + methyl p-toluene sulfinate (672-78-6)

Guidance literature:

With tetraethylammonium tosylate; Electrochemical reaction; reticulated vitreous carbon anode; Pt cathode;

DOI:10.1021/ol0258381

Reference yield: 80.0%

methanol (67-56-1) + N-benzyl-N,4-dimethylbenzenesulfinamide (436850-67-8) → methyl p-toluene sulfinate (672-78-6) + benzyl-methyl-amine (103-67-3)

Guidance literature:

With tetraethylammonium tosylate; Electrochemical reaction; reticulated vitreous carbon anode; Pt cathode;

DOI:10.1021/ol0258381

Reference yield: 78.0%

methanol (67-56-1) + 1-(p-tolylsulfinyl)aniline (6873-54-7) → methyl p-toluene sulfinate (672-78-6) + aniline (62-53-3)

Guidance literature:

With tetraethylammonium tosylate; Electrochemical reaction; reticulated vitreous carbon anode; Pt cathode;

DOI:10.1021/ol0258381

upstream raw materials:

diazomethane

p-toluene sulfinic acid

methanol

4-methylbenzenesulfinyl chloride

Downstream raw materials:

4-methylbenzenesulfinyl chloride

p-tolyl phenacyl sulphoxide

methanol

1-[(4-methylphenyl)sulfinyl]piperidine