2,4,6-Trimethyl diphenyl sulfide

Base Information

• Chemical Name: 2,4,6-Trimethyl diphenyl sulfide
• CAS No.: 33667-80-0
• Molecular Formula: C15H16S
• Molecular Weight: 228.358
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID50495801
• Nikkaji Number: J1.795.383D
• Wikidata: Q72514048
• Mol file: 33667-80-0.mol

Synonyms:2,4,6-Trimethyl diphenyl sulfide;33667-80-0;1,3,5-trimethyl-2-phenylsulfanylbenzene;1,3,5-trimethyl-2-(phenylthio)benzene;(2,4,6-trimethyl-phenyl)-phenyl sulfide;2,4,6-Trimethyldiphenyl sulfide;mesityl(phenyl)sulfane;Phenyl mesityl sulfide;SCHEMBL5887430;DTXSID50495801;IOVNMGMCDITBSD-UHFFFAOYSA-N;AKOS015898772;AC-16459;FT-0609891;A821899;1,3,5-TRIMETHYL-2-(PHENYLSULFANYL)BENZENE;J-507082;2,3-DIMETHOXY-5-BROMOPYRIDINE

Chemical Property of 2,4,6-Trimethyl diphenyl sulfide

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.607
• Boiling Point: 305.698 °C at 760 mmHg
• Flash Point: 128.935 °C
• PSA: 25.30000
• Density: 1.075 g/cm³
• LogP: 4.76300
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 228.09727168
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-TRIMETHYL DIPHENYL SULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trimethyl diphenyl sulfide

There total 28 articles about 2,4,6-Trimethyl diphenyl 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: 98.0%

N-phenylthiophthalimide (14204-27-4) + mesitylzinc chloride → phenyl mesityl sulfide (33667-80-0)

Guidance literature:

With copper(II) acetate monohydrate; In tetrahydrofuran; at 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201806261

Reference yield: 97.0%

iodomesitylene (4028-63-1) + thiophenol (108-98-5) → phenyl mesityl sulfide (33667-80-0)

Guidance literature:

With copper(l) iodide; 2.9-dimethyl-1,10-phenanthroline; sodium t-butanolate; In toluene; at 110 ℃; for 24h;

DOI:10.1021/ol0264105

Reference yield: 95.0%

2,4,6-trimethylphenyl bromide (576-83-0) + thiophenol (108-98-5) → phenyl mesityl sulfide (33667-80-0)

Guidance literature:

With [Pd(1,3-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)(cinnamyl)Cl]; potassium tert-butylate; In 1,4-dioxane; at 110 ℃; for 12h; Glovebox; Inert atmosphere;

DOI:10.1021/jo401492n

upstream raw materials:

mesitylthiol

thiophenol

2,4,6-trimethylphenyl bromide

tributyltin phenyl sulfide

Downstream raw materials:

(2,4,6-trimethylphenyl) phenyl sulfone

Refernces

• 1、 Lam, Long Yin,Ma, Cong. "Chan-Lam-Type C-S Coupling Reaction by Sodium Aryl Sulfinates and Organoboron Compounds". supporting information. p. 6164 - 6168. Retrieved 2021/08/16.
• 2、 Choudhuri, Khokan,Maiti, Saikat,Mal, Prasenjit. "Iodine(III) Enabled Dehydrogenative Aryl C?S Coupling by in situ Generated Sulfenium Ion". . p. 1092 - 1101. Retrieved 2019/01/30.