1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene

Base Information

• Chemical Name: 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene
• CAS No.: 10381-69-8
• Molecular Formula: C₁₆H₁₈OS
• Molecular Weight: 258.384
• DSSTox Substance ID: DTXSID901221969
• Nikkaji Number: J1.866.394E
• Mol file: 10381-69-8.mol

Synonyms:SCHEMBL19500066;DTXSID901221969;10381-69-8;1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene

Chemical Property of 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene

Chemical Property:

• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 258.10783637
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2C)C)C

Technology Process of 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene

There total 7 articles about 1,3,5-Trimethyl-2-[(4-methylphenyl)sulfinyl]benzene 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: 73.0%

para-thiocresol (106-45-6) + 1,3,5-trimethyl-benzene (108-67-8) → 1,3,5-trimethyl-2-(p-tolylsulfinyl)benzene (10381-69-8)

Guidance literature:

With 9?mesityl-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; for 15h; regioselective reaction; Irradiation;

DOI:10.1021/acs.orglett.1c03090

Reference yield: 71.0%

para-methylphenylmagnesium bromide (4294-57-9) + C27H38O7S → 1,3,5-trimethyl-2-(p-tolylsulfinyl)benzene (10381-69-8)

Guidance literature:

DOI:10.1039/c39810000505

Reference yield: 50.0%

3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester (911820-09-2) + bis(2,4,6-trimethylphenyl)iodonium triflate (139139-80-3) → 1,3,5-trimethyl-2-(p-tolylsulfinyl)benzene (10381-69-8)

Guidance literature:

With potassium hydroxide; In water; toluene; at 20 ℃; for 24h; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03046

upstream raw materials:

para-methylphenylmagnesium bromide

(-)-p-tolyl mesityl sulfoxide

(+)-(R)-mesityl p-tolyl sulphoxide

3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester

Downstream raw materials:

(-)-(S)-mesityl p-tolyl sulphoxide

(+)-(R)-mesityl p-tolyl sulphoxide