[(E)-3-chlorobut-2-enyl]sulfanylbenzene

Base Information

• Chemical Name: [(E)-3-chlorobut-2-enyl]sulfanylbenzene
• CAS No.: 51637-56-0
• Molecular Formula: C10H11 Cl S
• Molecular Weight: 198.7123
• NSC Number: 115085
• DSSTox Substance ID: DTXSID70419064
• Wikidata: Q82229869
• Mol file: 51637-56-0.mol

Synonyms:NSC115085;51637-56-0;DTXSID70419064;NSC-115085

Chemical Property of [(E)-3-chlorobut-2-enyl]sulfanylbenzene

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 268.1°Cat760mmHg
• Flash Point: 113.5°C
• Density: 1.13g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.0269992
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCSC1=CC=CC=C1)Cl
• Isomeric SMILES: C/C(=C\CSC1=CC=CC=C1)/Cl

Technology Process of [(E)-3-chlorobut-2-enyl]sulfanylbenzene

There total 5 articles about [(E)-3-chlorobut-2-enyl]sulfanylbenzene 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:

potassium thiophenolate (3111-52-2) + 1,3-dichloro-2-butene (926-57-8) → 1,1-bis(phenylsulfanyl)but-1-ene (71341-79-2) + trans-2-Chlor-4-phenylmercapto-buten-(2) (51637-56-0) + (Z)-[(3-chlorobut-2-en-1-yl)sulfanyl]benzene

Guidance literature:

With hydrazine hydrate; potassium hydroxide; at 75 - 80 ℃; for 5h; Temperature;

DOI:10.1134/S1070428018120023

Reference yield:

potassium thiophenolate (3111-52-2) + 1,3-dichloro-2-butene (926-57-8) → trans-2-Chlor-4-phenylmercapto-buten-(2) (51637-56-0) + (Z)-[(3-chlorobut-2-en-1-yl)sulfanyl]benzene

Guidance literature:

at 25 - 35 ℃; for 5h; Temperature; Overall yield = 3.7 g;

DOI:10.1134/S1070428018120023

Reference yield:

thiophenol (108-98-5) + 1,3-dichloro-2-butene (926-57-8) → (3-chloro-but-2-enyl)-phenyl sulfide (51637-56-0)

Guidance literature:

With potassium hydroxide; dimethyldibenzylammonium chloride;

upstream raw materials:

thiophenol

1,3-dichloro-2-butene

diphenyldisulfane

potassium thiophenolate

Refernces

• 1、 Shono, Tomohiro,Kurashige, Rie,Mukaiyama, Ryo,Tsubouchi, Akira,Takeda, Takeshi. "Titanacyclobutenes or titanium vinyl carbene complexes? Reactivity of organotitanium species generated by the reaction of γ-chloroallyl sulfides with a titanocene(II) reagent". . p. 4074 - 4080. Retrieved 2008/02/08.