Bis(4-fluorophenyl) sulfide

Base Information

• Chemical Name: Bis(4-fluorophenyl) sulfide
• CAS No.: 404-38-6
• Molecular Formula: C12H8F2S
• Molecular Weight: 222.258
• DSSTox Substance ID: DTXSID20459450
• Nikkaji Number: J1.344.459E
• Wikidata: Q82283218
• Mol file: 404-38-6.mol

Synonyms:404-38-6;Bis(4-fluorophenyl) sulfide;4,4'-difluorodiphenyl sulfide;Benzene, 1,1'-thiobis[4-fluoro-;p,p'-Difluordiphenylsulfid;bis(4-fluorophenyl)sulfane;SCHEMBL576260;DTXSID20459450;AMY15606

Chemical Property of Bis(4-fluorophenyl) sulfide

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 222.03147775
• Heavy Atom Count: 15
• Complexity: 162

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)SC2=CC=C(C=C2)F

Technology Process of Bis(4-fluorophenyl) sulfide

There total 21 articles about Bis(4-fluorophenyl) 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%

4-fluoro-1-iodobenzene (352-34-1) → 4,4'-difluorodiphenyl sulfide (404-38-6)

Guidance literature:

With potassium phosphate; copper(l) iodide; sodiumsulfide nonahydrate; at 150 ℃; for 24h;

DOI:10.1080/10426507.2012.694003

Reference yield: 89.0%

1-Bromo-4-fluorobenzene (460-00-4) → 4,4'-difluorodiphenyl sulfide (404-38-6)

Guidance literature:

With potassium phosphate; copper(l) iodide; potassium thioacyanate; In PEG-400; at 150 ℃; for 20h; Inert atmosphere;

DOI:10.1002/cjoc.201100209

Reference yield: 85.0%

bis(4-fluorophenyl)disulfide (405-31-2) → 4,4'-difluorodiphenyl sulfide (404-38-6)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In water; dimethyl sulfoxide; at 120 ℃;

DOI:10.1021/acscatal.9b04931

upstream raw materials:

bis(4-fluorophenyl)sulfoxide

4-Fluorothiophenol

4-fluoroaniline

4-fluorobenzenesulphenyl chloride

Downstream raw materials:

bis(p-fluorophenyl)sulfone

4,4'-difluorobiphenyl

tris(4-fluorophenyl)sulfonium trifluoromethanesulfonate

N-(4-fluorophenyl)aniline

Refernces

• 1、 Kollár, László,Rajat Rao, Yalamarti Venkat,Zugó, Alexandra,Pongrácz, Péter. "Palladium-catalysed thioetherification of aryl and alkenyl iodides using 1,3,5-trithiane as sulfur source". . . Retrieved 2021/12/17.
• 2、 Cao, Fei,Chen, Jinhong,Deng, Jiedan,Deng, Xuemei,Hou, Yongsheng,Shao, Xiangfeng,Shi, Tao,Wang, Yongqiang,Wang, Zhen,Wu, Lingxi,Yang, Jinru,Yang, Yuhang. "Dechalcogenization of Aryl Dichalcogenides to Synthesize Aryl Chalcogenides via Copper Catalysis". . p. 2707 - 2712. Retrieved 2020/03/11.