p-Tolyl-4-methylbenzyl sulfide

Base Information

• Chemical Name: p-Tolyl-4-methylbenzyl sulfide
• CAS No.: 5023-63-2
• Molecular Formula: C₁₅H₁₆S
• Molecular Weight: 228.358
• DSSTox Substance ID: DTXSID10488673
• Nikkaji Number: J1.396.770I
• Wikidata: Q82331482
• Mol file: 5023-63-2.mol

Synonyms:5023-63-2;p-tolyl-4-methylbenzyl sulfide;SCHEMBL11601101;DTXSID10488673;(4-methylbenzyl)(4-methylphenyl) sulfide

Chemical Property of p-Tolyl-4-methylbenzyl sulfide

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 228.09727168
• Heavy Atom Count: 16
• Complexity: 186

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)CSC2=CC=C(C=C2)C

Technology Process of p-Tolyl-4-methylbenzyl sulfide

There total 12 articles about p-Tolyl-4-methylbenzyl 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: 96.0%

1-methyl-4-((4-methylbenzyl)sulfinyl)benzene (95126-91-3) → (4-methylbenzyl)(p-tolyl)sulfane (20288-35-1,5023-63-2)

Guidance literature:

With trifluoromethylsulfonic anhydride; potassium iodide; In acetonitrile; at 20 ℃; for 0.0666667h;

DOI:10.1055/s-2008-1067190

Reference yield: 95.0%

4-Methylbenzyl alcohol (589-18-4) + para-thiocresol (106-45-6) → (4-methylbenzyl)(p-tolyl)sulfane (20288-35-1,5023-63-2)

Guidance literature:

With 4-Methylbenzyl bromide; In neat (no solvent); at 120 ℃; for 12h; Schlenk technique; Sealed tube;

DOI:10.1039/c7ob02461d

Reference yield: 93.0%

(4-methylbenzyl)trimethylammonium bromide (16814-21-4) + para-thiocresol (106-45-6) → (4-methylbenzyl)(p-tolyl)sulfane (20288-35-1,5023-63-2)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride; potassium tert-butylate; In acetonitrile; at 70 ℃; for 12h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.jorganchem.2021.122176

upstream raw materials:

4-Methylbenzyl chloride

para-thiocresol

1-methyl-4-((4-methylbenzyl)sulfinyl)benzene

p-Toluic acid

Downstream raw materials:

1-methyl-4-((4-methylbenzyl)sulfonyl)benzene

(E)-methyl 3-(5-methyl-2-(p-tolylsulfinylmethyl)phenyl)acrylate

1-methyl-4-((4-methylbenzyl)sulfinyl)benzene

dimethyl (α-(p-tolylthio)-p-methylbenzylidene)malonate

Refernces

• 1、 Zhou, Wen-Yan,Chen, Min,Zhang, Pei-Zhi,Jia, Ai-Quan,Zhang, Qian-Feng. "Methods, Syntheses and Characterization of Diaryl, Aryl Benzyl, and Dibenzyl Sulfides". . p. 301 - 310. Retrieved 2020/09/07.
• 2、 Yang, Shiping,Cheng, Rui,Zhao, Tingxing,Luo, Anping,Lan, Jingbo,You, Jingsong. "Rhodium-Catalyzed C-H/C-H Cross Coupling of Benzylthioethers or Benzylamines with Thiophenes Enabled by Flexible Directing Groups". supporting information. p. 5086 - 5090. Retrieved 2019/07/03.