Divinyl sulfone

Base Information

• Chemical Name: Divinyl sulfone
• CAS No.: 77-77-0
• Molecular Formula: C4H6 O2 S
• Molecular Weight: 118.156
• Hs Code.: 2930909090
• European Community (EC) Number: 201-057-6
• NSC Number: 133793,57304,18590
• UN Number: 2810
• UNII: 5PFN71LP8M
• DSSTox Substance ID: DTXSID6031253
• Nikkaji Number: J1.478H
• Wikidata: Q27104812
• Metabolomics Workbench ID: 52589
• ChEMBL ID: CHEMBL349205
• Mol file: 77-77-0.mol

Synonyms:divinyl sulfone;vinyl sulfone

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Divinyl sulfone

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0805mmHg at 25°C
• Melting Point: -26 ºC
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 234.3 ºC
• Flash Point: 102 ºC
• PSA: 42.52000
• Density: 1.177
• LogP: 1.76900
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DMSO (Sparingly), Ethyl Acetate (Slightly)
• Water Solubility.: >=10 g/100 mL at 17 ºC
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 118.00885060
• Heavy Atom Count: 7
• Complexity: 145
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Hazard Codes: T+,T,C
• Statements: 25-27-36/37/38-26/27/28-41-37/38
• Safety Statements: 26-28-36/37-45-36/37/39-23

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C=CS(=O)(=O)C=C
• Uses: Divinyl sulfone acts as a cross-linking reagent for agarose gels. It is a monomer, which is used in the production of polymers with diols, urea and malonic esters. Further, it serves as a shrinkage control agent in textiles. In addition to this, it is used in the preparation of large class of fiber-reactive dyestuffs.

Technology Process of Divinyl sulfone

There total 22 articles about Divinyl sulfone 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: 100.0%

1-thia-4-telluracyclohexane-1,1-dioxide → Divinyl sulfone (77-77-0)

Guidance literature:

With air; at 145 ℃; for 25h;

DOI:10.1023/A:1011954405103

Reference yield: 98.0%

divinyl sulfide (627-51-0) → Divinyl sulfone (77-77-0)

Guidance literature:

With O₄₀PW₁₂^(3-)*3C₁₄H₁₆NO₃S⁽¹⁺⁾; dihydrogen peroxide; In water; at 20 ℃; for 0.333333h; Green chemistry;

DOI:10.1016/j.molcata.2013.09.009

Reference yield: 95.0%

fluoromethylphenyl sulfone + lithium hexamethyldisilamide + diethyl chlorophosphate (814-49-3) → Divinyl sulfone (77-77-0)

Guidance literature:

With ammonium chloride; benzaldehyde; In tetrahydrofuran; ethyl acetate;

upstream raw materials:

divinyl sulfide

bis(2-chloroethyl)sulfone

sulfonyldiethanol

1,1'-Sulphonylbis(2-acetoxyethane)

Downstream raw materials:

2-(1,1-dioxidothiomorpholin-4-yl)propionic acid

(S)-2-(1,1-dioxo-1λ⁶-thiomorpholino)-3-phenyl-propionic acid

1,4-oxathiane-4,4-dioxide

1,4-dithiacyclohexane 1,1-dioxide

Refernces

• 1、 Lv, Shanshan,Zhang, Yajiao,Xu, Bin,Xu, Hua,Zhao, Yumei,Chen, Jia,Gao, Zhongcai,Wu, Jianfeng,Xie, Jianwei. "Synthesis, Characterization, and Identification of New in Vitro Covalent DNA Adducts of Divinyl Sulfone, an Oxidative Metabolite of Sulfur Mustard". . p. 1874 - 1882. Retrieved 2017.
• 2、 Yu, Chunyan,Lv, Zhongwen,Xu, Sheng,Zhang, Jun. "A convenient synthesis of (E)-conjugated polyene sulfonyl derivatives with excellent stereospecificity". supporting information. p. 3234 - 3237. Retrieved 2018/07/25.