Benzene, 1-methyl-3-[(4-methylphenyl)thio]-

Base Information

• Chemical Name: Benzene, 1-methyl-3-[(4-methylphenyl)thio]-
• CAS No.: 107770-92-3
• Molecular Formula: C14H14S
• Molecular Weight: 214.331
• DSSTox Substance ID: DTXSID90501970
• Nikkaji Number: J2.290.516C
• Wikidata: Q82354694
• Mol file: 107770-92-3.mol

Synonyms:107770-92-3;Benzene, 1-methyl-3-[(4-methylphenyl)thio]-;1-METHYL-4-[(3-METHYLPHENYL)SULFANYL]BENZENE;1-methyl-3-(4-methylphenyl)sulfanylbenzene;SCHEMBL822376;DTXSID90501970;(3-methylphenyl)(4-methylphenyl) sulfide;1-Methyl-3-[(4-methylphenyl)sulfanyl]benzene

Chemical Property of Benzene, 1-methyl-3-[(4-methylphenyl)thio]-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 214.08162162
• Heavy Atom Count: 15
• Complexity: 182

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=CC=CC(=C2)C

Technology Process of Benzene, 1-methyl-3-[(4-methylphenyl)thio]-

There total 16 articles about Benzene, 1-methyl-3-[(4-methylphenyl)thio]- 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%

3-Iodotoluene (625-95-6) + para-thiocresol (106-45-6) → (3?methylphenyl)(4?methylphenyl) sulfide (107770-92-3)

Guidance literature:

para-thiocresol; With potassium hydroxide; In methanol; at 70 ℃; for 0.25h; Inert atmosphere; Schlenk technique; Green chemistry;

3-Iodotoluene; With copper(l) iodide; In methanol; at 110 ℃; for 12h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1007/s10870-020-00859-w

Reference yield: 93.0%

1-chloro-3-methylbenzene (108-41-8) + para-thiocresol (106-45-6) → (3?methylphenyl)(4?methylphenyl) sulfide (107770-92-3)

Guidance literature:

With CyPF-t-Bu; lithium hexamethyldisilazane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 110 ℃;

DOI:10.1021/ja0580340

Reference yield: 93.0%

→ (3?methylphenyl)(4?methylphenyl) sulfide (107770-92-3)

Guidance literature:

upstream raw materials:

1-amino-3-methylbenzene

p-tolyllithium

4-tolyl iodide

1-chloro-3-methylbenzene

Downstream raw materials:

1-methyl-3-(p-tolylsulfinyl)benzene

1-methyl-3-tosylbenzene