tert-Butyl m-tolyl sulfide

Base Information

• Chemical Name: tert-Butyl m-tolyl sulfide
• CAS No.: 34786-26-0
• Molecular Formula: C11H16S
• Molecular Weight: 180.3097
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID70188329
• Nikkaji Number: J101.841H
• Wikidata: Q83060142
• Mol file: 34786-26-0.mol

Synonyms:tert-Butyl m-tolyl sulfide;34786-26-0;Benzene, 1-[(1,1-dimethylethyl)thio]-3-methyl-;tert-Butyl(m-tolyl) sulfide;SCHEMBL10294043;DTXSID70188329;1-(tert-Butylsulfanyl)-3-methylbenzene #

Chemical Property of tert-Butyl m-tolyl sulfide

Chemical Property:

• Vapor Pressure: 0.0445mmHg at 25°C
• Boiling Point: 245.6°Cat760mmHg
• Flash Point: 100.6°C
• PSA: 25.30000
• Density: 0.96g/cm³
• LogP: 3.88560
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 180.09727168
• Heavy Atom Count: 12
• Complexity: 134

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)SC(C)(C)C

Technology Process of tert-Butyl m-tolyl sulfide

There total 3 articles about tert-Butyl m-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:

C11H16S*3CO*Cr → m-Tolyl-t-butylsulfid (34786-26-0)

Guidance literature:

With iodine; In diethyl ether; at 0 ℃; Yield given;

DOI:10.1021/jo00152a040

Reference yield:

((C6H5)2PCH2CH2P(C6H5)2)Pd(SC(CH3)3)(C6H4CH3) (163318-99-8) + triphenylphosphine-d15 (24762-44-5) → bis[1,2-bis(diphenylphosphino)-ethane]palladium(0) (69720-86-1) + ((C6D5)3P)4Pd + m-Tolyl-t-butylsulfid (34786-26-0)

Guidance literature:

In benzene-d6; (N2); 50°C; Kinetics;

DOI:10.1021/ja981428p

Reference yield:

toluene-3-thiol (108-40-7) + tert-butyl alcohol (75-65-0) → m-Tolyl-t-butylsulfid (34786-26-0)

Guidance literature:

With sulfuric acid;

DOI:10.1039/P29740000263

upstream raw materials:

toluene-3-thiol

tert-butyl alcohol

((C₆H₅)2PCH₂CH₂P(C₆H₅)2)Pd(SC(CH₃)3)(C₆H₄CH₃)

triphenylphosphine-d15

Refernces

• 1、 Alemagna, Andreina,Buttero, Paola Del,Gorini, Carlo,Landini, Dario,Licandro, Emanuela,Maiorana, Stefano. "SNAr Nucleophilic Substitutions of Cr(CO)3-Complexed Aryl Halides with Thiolates under Phase-Transfer Conditions". . p. 605 - 607. Retrieved 2007/10/02.