2,4-DIMETHYLDIPHENYLSULFIDE

Base Information

• Chemical Name: 2,4-DIMETHYLDIPHENYLSULFIDE
• CAS No.: 16704-47-5
• Molecular Formula: C14H14 S
• Molecular Weight: 214.331
• Hs Code.: 2930909090
• Mol file: 16704-47-5.mol

Synonyms:Sulfide,phenyl 2,4-xylyl (8CI)

Chemical Property of 2,4-DIMETHYLDIPHENYLSULFIDE

Chemical Property:

• Boiling Point: 310.4±11.0 °C(Predicted)
• PSA: 25.30000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 4.45460

Purity/Quality:

97% ^*data from raw suppliers

2,4-Dimethyl-1-(phenylthio)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2,4-Dimethyl-1-(phenylthio)benzene is an impurity of Vortioxetine (V760100), a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT (1,2,3).

Technology Process of 2,4-DIMETHYLDIPHENYLSULFIDE

There total 12 articles about 2,4-DIMETHYLDIPHENYLSULFIDE 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: 92.0%

iodobenzene (591-50-4) + 2,4-dimethyl-thiophenol (13616-82-5) → 2,4-dimethyl-1-(phenylsulfanyl)benzene (16704-47-5)

Guidance literature:

With bismuth(III) oxide; N,N-dimethylethylenediamine; potassium hydroxide; In water; at 100 ℃; for 17h; chemoselective reaction;

DOI:10.1002/aoc.2871

Reference yield: 88.0%

bromobenzene (108-86-1,52753-63-6) + 2,4-dimethyl-thiophenol (13616-82-5) → 2,4-dimethyl-1-(phenylsulfanyl)benzene (16704-47-5)

Guidance literature:

With bismuth(III) oxide; N,N-dimethylethylenediamine; potassium hydroxide; In water; at 100 ℃; for 30h; chemoselective reaction;

DOI:10.1002/aoc.2871

Reference yield: 86.0%

1-iodo-2,4-dimethylbenzene (4214-28-2) + thiophenol (108-98-5) → 2,4-dimethyl-1-(phenylsulfanyl)benzene (16704-47-5)

Guidance literature:

With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3chloro-pyridyl)palladium(II) dichloride; potassium tert-butylate; for 3h; Milling;

DOI:10.1021/acs.orglett.0c02418

upstream raw materials:

1-bromo-2,4-dimethylbenzene

1-iodo-2,4-dimethylbenzene

thiophenol

bromobenzene