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CS-W001157 4
Total: USD 88.00

6-Bromothiochroman-4-one

  • CAS No. 13735-13-2

  • Cat. No. CS-0006410
  • Molecule weight243.12
  • Purity≥98%
  • MDL No.MFCD05664869

*For research and further manufacturing use only, not for direct human use.

6-Bromothiochroman-4-one|CS-0006410

Structure of 13735-13-2

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General Information

  • CAS No. 13735-13-2
  • Cat. No. CS-0006410
  • Purity ≥98%
  • MDL No. MFCD05664869
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrOS
  • Molecular Weight 243.12
  • Synonym(s) 6-BroMo-3,4-dihydro-2H-1-benzothiin-4-one
  • SMILES O=C1C2=CC(Br)=CC=C2SCC1

Description

6-Bromothiochroman-4-one features a brominated thiophene-fused ketone core, offering a reactive handle for cross-coupling and functionalization. This bench-stable heterocycle integrates readily into synthetic routes targeting bioactive molecules, particularly in medicinal chemistry scaffolds requiring electron-deficient aromatic systems.

Application

6-Bromothiochroman-4-one serves as a versatile scaffold for the synthesis of biologically relevant thiochroman derivatives. The bromine at the C6 position enables palladium-catalyzed cross-coupling reactions, while the ketone functionality supports nucleophilic addition and enolate chemistry. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for modular construction of heterocyclic libraries in medicinal chemistry workflows.

Synthesis

  • Route1
    • In-stock
      Thiochroman-4-one|CS-0042375
      3528-17-4
    • ~46%
    • null|null
      909248-27-7
    • In-stock
      6-Bromothiochroman-4-one|CS-0006410
      13735-13-2

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 16 p. 4405 - 4409
  • Route2
    • 3-[(4-Bromophenyl)thio]propanoic acid|CS-0647598
      13735-04-1
    • ~84%
    • In-stock
      6-Bromothiochroman-4-one|CS-0006410
      13735-13-2

    References

    • Li, Ji-Tai; Li, Hong-Ya; Li, Hui-Zhang; Xiao, Li-Wei Journal of Chemical Research, 2004 , # 6 p. 394 - 395
  • Route3

    References

    • US2009/76076 A1, ; Page/Page column 24 ; US 20090076076 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.1276
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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