4-Phenylsulfanylbut-2-ynylsulfanylbenzene

Base Information

• Chemical Name: 4-Phenylsulfanylbut-2-ynylsulfanylbenzene
• CAS No.: 13597-12-1
• Molecular Formula: C16H14S2
• Molecular Weight: 270.419
• DSSTox Substance ID: DTXSID00518357
• Nikkaji Number: J2.728.107I
• Wikidata: Q82381007
• Mol file: 13597-12-1.mol

Synonyms:13597-12-1;DTXSID00518357;1,1'-(But-2-yne-1,4-diyldisulfanediyl)dibenzene

Chemical Property of 4-Phenylsulfanylbut-2-ynylsulfanylbenzene

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 270.05369279
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCC#CCSC2=CC=CC=C2

Technology Process of 4-Phenylsulfanylbut-2-ynylsulfanylbenzene

There total 7 articles about 4-Phenylsulfanylbut-2-ynylsulfanylbenzene 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: 57.0%

thiophenol (108-98-5) + 1,4-Dichloro-2-butyne (821-10-3) → 1,4-bis(phenylsulfanyl)but-2-yne (13597-12-1)

Guidance literature:

With sodium hydroxide; In ethanol; at 0 ℃; for 6h;

DOI:10.1039/c8dt03219j

Reference yield: 33.0%

thiophenol (108-98-5) + 1,4-Dichloro-2-butyne (821-10-3) → 1,4-bis(phenylsulfanyl)but-2-yne (13597-12-1) + 1-chloro-4-(phenylthio)but-2-yne (32498-67-2)

Guidance literature:

With triethylamine; In dichloromethane;

DOI:10.1071/CH9950651

Reference yield: 20.0%

potassium thiophenolate (3111-52-2) + 1,4-Dichloro-2-butyne (821-10-3) → 1,4-bis(phenylsulfanyl)but-2-yne (13597-12-1) + 1-phenylsulfanylbut-1-en-3-yne (18356-82-6)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; at 25 ℃; for 2.5h; Temperature;

DOI:10.1007/s11172-015-1121-1

upstream raw materials:

thiophenol

1,4-Dichloro-2-butyne

diphenyldisulfane

potassium thiophenolate

Downstream raw materials:

C₆H₅SCH₂C(Sn(C₄H₉)3)CHCH₂SC₆H₅

1,4-Bis-(phenylsulfonyl)-2-butanon

Refernces

• 1、 Levanova,Vakhrina,Grabel’nykh,Rozentsveig,Russavskaya,Albanov,Klyba,Korchevin. "Chalcogenation of 1,4-dichlorobut-2-yne with organic dichalcogenides in the system hydrazine hydrate–KOH". . p. 2083 - 2089. Retrieved 2016/10/03.