4-Methylbenzyl phenyl sulfide

Base Information

• Chemical Name: 4-Methylbenzyl phenyl sulfide
• CAS No.: 5023-65-4
• Molecular Formula: C14H14S
• Molecular Weight: 214.331
• European Community (EC) Number: 668-290-7
• DSSTox Substance ID: DTXSID80404840
• Nikkaji Number: J1.396.769E
• Wikidata: Q82209175
• Mol file: 5023-65-4.mol

Synonyms:4-METHYLBENZYL PHENYL SULFIDE;5023-65-4;Benzene, 1-methyl-4-[(phenylthio)methyl]-;SCHEMBL10661141;DTXSID80404840;AKOS024324296

Chemical Property of 4-Methylbenzyl phenyl sulfide

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 214.08162162
• Heavy Atom Count: 15
• Complexity: 164

Purity/Quality:

98%,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)CSC2=CC=CC=C2

Technology Process of 4-Methylbenzyl phenyl sulfide

There total 32 articles about 4-Methylbenzyl phenyl 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%

thiophenol (108-98-5) + 4-Methylbenzyl bromide (104-81-4) → 4-methylbenzyl phenyl sulfide (5023-65-4)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Reflux; Inert atmosphere;

DOI:10.1002/chem.202004692

Reference yield: 99.0%

4-Methylbenzyl bromide (104-81-4) + diphenyldisulfane (882-33-7) → 4-methylbenzyl phenyl sulfide (5023-65-4)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.166667h; Ionic liquid; Inert atmosphere;

DOI:10.1016/j.tet.2011.04.018

Reference yield: 99.0%

1-methyl-4-((phenylsulfinyl)methyl)benzene → 4-methylbenzyl phenyl sulfide (5023-65-4)

Guidance literature:

With 2,4-diphenyl-1,3-diselenadiphosphetane-2,4-diselenide; In toluene; for 20h; Heating;

DOI:10.1016/j.tetlet.2007.03.132

upstream raw materials:

4-methylbenzoic acid ethyl ester

thexylphenylthioborane

p-methylbenzyl thiocyanate

potassium thiophenolate

Downstream raw materials:

N-(4-methylbenzyl)acetamide

2-(4’-methylphenyl)tetrahydrofuran

4,4,5,5-tetramethyl-2-[(4-methylphenyl)methyl]-1,3,2-dioxaborolane

(R)-(+)-4-methylbenzyl phenyl sulfoxide

Refernces

• 1、 -. "Photocatalytic synthesis method of aryl thioether and derivatives thereof". Paragraph 0084; 0085; 0086; 0087. . Retrieved 2021/04/03.
• 2、 Asadpour, Mohammad,Azizzade, Meysam,Ghasemi, Mehran,Jafarpour, Farnaz,Rajai-Daryasarei, Saideh. "An Iodide-Mediated Transition-Metal-Free Strategy towards Unsymmetrical Diaryl Sulfides via Arylhydrazines and Thiols". supporting information. p. 727 - 734. Retrieved 2020/02/25.