1,3,5-Trimethyl-2-(4-methylphenyl)sulfanylbenzene

Base Information

• Chemical Name: 1,3,5-Trimethyl-2-(4-methylphenyl)sulfanylbenzene
• CAS No.: 34678-74-5
• Molecular Formula: C16H18S
• Molecular Weight: 242.385
• DSSTox Substance ID: DTXSID60396774
• Nikkaji Number: J2.935.727G
• Wikidata: Q82197669
• Mol file: 34678-74-5.mol

Synonyms:34678-74-5;1,3,5-trimethyl-2-[(4-methylphenyl)sulfanyl]benzene;STK370105;1,3,5-trimethyl-2-(4-methylphenyl)sulfanylbenzene;Mesityl 4-methylphenyl sulfide;Benzene, 1,3,5-trimethyl-2-[(4-methylphenyl)thio]-;SCHEMBL13386343;DTXSID60396774;2,4,6,4'-tetramethyl-diphenylsulfid;AKOS005445564

Chemical Property of 1,3,5-Trimethyl-2-(4-methylphenyl)sulfanylbenzene

Chemical Property:

• PSA: 25.30000
• LogP: 5.07140
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 242.11292175
• Heavy Atom Count: 17
• Complexity: 218

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2C)C)C

Technology Process of 1,3,5-Trimethyl-2-(4-methylphenyl)sulfanylbenzene

There total 11 articles about 1,3,5-Trimethyl-2-(4-methylphenyl)sulfanylbenzene 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: 95.0%

para-thiocresol (106-45-6) + 1,3,5-trimethyl-benzene (108-67-8) → 4-methylphenyl-2’,4’,6’-trimethylphenylsulfide (34678-74-5)

Guidance literature:

With tetrabutylammonium acetate; for 4.5h; regioselective reaction; Electrolysis; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c01050

Reference yield: 92.0%

toluene-4-sulfonic acid hydrazide (1576-35-8) + 1,3,5-trimethyl-benzene (108-67-8) → 4-methylphenyl-2’,4’,6’-trimethylphenylsulfide (34678-74-5)

Guidance literature:

With acetic acid; ytterbium(III) triflate; In 1,2-dichloro-ethane; at 110 ℃; for 8h;

DOI:10.1016/j.tet.2018.02.014

Reference yield: 91.0%

1-[(4-methylphenyl)sulfanyl]pyrrolidine-2,5-dione (39549-10-5) + 1,3,5-trimethyl-benzene (108-67-8) → 4-methylphenyl-2’,4’,6’-trimethylphenylsulfide (34678-74-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 6h;

DOI:10.1021/acs.orglett.5b01889

upstream raw materials:

p-methylbenzenesulfenyl chloride

1,3,5-trimethyl-benzene

2,4,6-trimethylphenyl bromide

P-toluenesulfonyl cyanide

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