Methyl o-tolyl sulfide

Base Information

• Chemical Name: Methyl o-tolyl sulfide
• CAS No.: 14092-00-3
• Molecular Formula: C8H10 S
• Molecular Weight: 138.233
• Hs Code.: 2930909090
• European Community (EC) Number: 679-018-1
• NSC Number: 90083
• DSSTox Substance ID: DTXSID10293502
• Nikkaji Number: J101.264I
• Wikidata: Q82032280
• Mol file: 14092-00-3.mol

Synonyms:14092-00-3;Methyl o-tolyl sulfide;methyl(o-tolyl)sulfane;2-methylthioanisole;1-methyl-2-methylsulfanylbenzene;1-Methyl-2-(methylsulfanyl)benzene;Benzene, 1-methyl-2-(methylthio)-;o-Cresyl methyl sulfide;Sulfide, methyl o-tolyl;2-Methyl-(1-thiaethyl)benzene;2-METHYLBENZYL MERCAPTAN, 97;methyl tolyl thioether;26898-14-6;2-(Methylthio)toluene;NCIOpen2_001459;SCHEMBL407202;1-methyl-2-(methylthio)benzene;2-Methylbenzenethiol, S-methyl-;BHWJMPDCCDMCKC-UHFFFAOYSA-;DTXSID10293502;NSC90083;NSC-90083;1-Methyl-2-(methylsulfanyl)benzene #;AKOS006239018;CS-0309255;FT-0613013;FT-0613018;EN300-1710182;A807707;2-Methylbenzylmercaptan, (2-Methyl-a-toluenethiol);Z785054008;InChI=1/C8H10S/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3

Chemical Property of Methyl o-tolyl sulfide

Chemical Property:

• Vapor Pressure: 0.167mmHg at 25°C
• Refractive Index: 1.5710
• Boiling Point: 192.2°Cat760mmHg
• Flash Point: 69.1°C
• PSA: 25.30000
• Density: 1.01g/cm³
• LogP: 2.71690
• Sensitive.: Air Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 138.05032149
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

98% or more ^*data from raw suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1SC

Technology Process of Methyl o-tolyl sulfide

There total 32 articles about Methyl o-tolyl sulfide 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%

2-thiocresol (137-06-4) + methyl iodide (74-88-4) → methyl o-tolyl sulfide (14092-00-3)

Guidance literature:

With potassium carbonate; In acetone; at 25 ℃; for 17h;

Reference yield: 97.0%

2-bromo-1-(methylsulfanyl)benzene (19614-16-5) + dilithium tetramethylzincate → methyl o-tolyl sulfide (14092-00-3)

Guidance literature:

2-bromo-1-(methylsulfanyl)benzene; dilithium tetramethylzincate; In tetrahydrofuran; at 0 ℃; for 2h;

With oxovanadium(V) ethoxydichloride; at 20 ℃; for 5h; Further stages.;

DOI:10.1021/jo000976u

Reference yield: 86.0%

C6H4S2O4N(1-)*N2C6H5CH2(1+) + sodium thiomethoxide (5188-07-8) → Dimethyldisulphide (624-92-0) + methyl o-tolyl sulfide (14092-00-3) + sodium o-benzenedisulfonimide

Guidance literature:

In methanol; at 0 - 5 ℃;

DOI:10.1021/jo0003347

upstream raw materials:

dimethyl sulfate

2-thiocresol

thiophenol

methyl iodide

Downstream raw materials:

3-methyl-4-methylsulfanyl-benzophenone

2H-1-benzothiopyran-3(4H)-one

2-<(carboxymethyl)thio>benzeneacetic acid

2-(ethylsulfanyl)-1-methylbenzene

Refernces

• 1、 Colichman,Love. "-". . p. 40,44. Retrieved 1953.
• 2、 Huang, Hui,Li, Xiang,Liang, Xinyu,Lin, Qijie,Ma, Bowei,Pei, Shurui,Shi, Qinqin,Wang, Song,Wang, Zhi-Xiang,Wen, Kaikai,Zhang, Bei-Bei,Zhang, Meng. "The Aryl Sulfide Synthesis via Sulfide Transfer". supporting information. . Retrieved 2022/05/14.
• 3、 Miao, Ren-Guan,Qi, Xinxin,Wu, Xiao-Feng. "Synthesis of Aryl Methyl Sulfides from Arysulfonyl Chlorides with Dimethyl Carbonate as the Solvent and C1 Source". supporting information. p. 5219 - 5221. Retrieved 2021/10/19.