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4,5-Bis(bromomethyl)-1,3-dithiol-2-one

Base Information
  • Chemical Name:4,5-Bis(bromomethyl)-1,3-dithiol-2-one
  • CAS No.:153911-38-7
  • Molecular Formula:C5H4Br2OS2
  • Molecular Weight:304.02300
  • Hs Code.:
  • DSSTox Substance ID:DTXSID10565397
  • Nikkaji Number:J793.826H
  • Wikidata:Q82450470
4,5-Bis(bromomethyl)-1,3-dithiol-2-one

Synonyms:153911-38-7;4,5-Bis(bromomethyl)-1,3-dithiol-2-one;DTXSID10565397;4,5-Bis(bromomethyl)-2H-1,3-dithiol-2-one

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Chemical Property of 4,5-Bis(bromomethyl)-1,3-dithiol-2-one
Chemical Property:
  • Boiling Point:343.2±52.0 °C(Predicted) 
  • PSA:73.55000 
  • Density:2.141±0.06 g/cm3(Predicted) 
  • LogP:2.95960 
  • XLogP3:2.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:2
  • Exact Mass:303.80498
  • Heavy Atom Count:10
  • Complexity:172
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C(C1=C(SC(=O)S1)CBr)Br
Refernces

CpCo1-mediated Diels-Alder reaction forming dimerie 1,3-dithiol-2-one derivative with spiro structure and successive formation of novel cobalt dithiolene complex

10.1246/cl.2008.1032

The research focuses on the synthesis of novel cobalt dithiolene complexes using a CpCoI-mediated Diels–Alder reaction. The purpose of the study was to develop a method for forming dimeric 1,3-dithiol-2-one derivatives with a spiro structure and subsequently generate new CpCo(dithiolene) complexes. The key chemicals used in the process include 4,5-bis(bromomethyl)-1,3-dithiol-2-one (1), CpCo(CO)2 (2), and N-phenylmaleimide. The researchers found that the reaction of 1 with CpCo(CO)2 under thermal conditions led to the formation of a dimeric 1,3-dithiol-2-one derivative (3) and a new CpCo(dithiolene) complex (4). The study concluded that CpCoI species not only facilitate the Diels–Alder reaction but also enable the successive formation of CpCo(dithiolene) complexes, providing a one-step synthesis method for these compounds, which are useful for syntheses of TTF derivatives and metal dithiolene complexes.

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