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CS-W001157 4
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5-Bromoindolin-2-one

  • CAS No. 20870-78-4

  • Cat. No. CS-W002616
  • Molecule weight212.04
  • Purity≥97%
  • MDL No.MFCD00456998

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

5-Bromoindolin-2-one|CS-W002616

Structure of 20870-78-4

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General Information

  • CAS No. 20870-78-4
  • Cat. No. CS-W002616
  • Purity ≥97%
  • MDL No. MFCD00456998
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO
  • Molecular Weight 212.04
  • Synonym(s) 5-Bromooxindole
  • SMILES BrC1=CC=C(N2)C(CC2=O)=C1

Description

5-Bromoindolin-2-one is a bench-stable, electron-deficient heterocycle featuring a bromine substituent at the 5-position and a carbonyl group at C2. This combination enables direct functionalization in cross-coupling reactions and facilitates integration into bioactive scaffolds. The molecule’s planar structure enhances π-stacking interactions in target binding.

Synthesis

  • Route1

    References

    • Adams, Christopher; Aldous, David J.; Amendola, Shelley; Bamborough, Paul; Bright, Colin; Crowe, Sarah; Eastwood, Paul; Fenton, Garry; Foster, Martyn; Harrison, Trevor K. P.; King, Sue; Lai, Justine; Lawrence, Christopher; Letallec, Jean-Philippe; McCarthy, Clive; Moorcroft, Neil; Page, Kenneth; Rao, Sudha; Redford, Jane; Sadiq, Shazia; Smith, Keith; Souness, John E.; Thurairatnam, Sukanthini; Vine, Mark; Wyman, Barry Bioorganic and Medicinal Chemistry Letters, 2003 , vol. 13, # 18 p. 3105 - 3110
  • Route2

    References

    • Lin, Wei; Hu, Ming-Hua; Feng, Xian; Fu, Lei; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing Tetrahedron Letters, 2014 , vol. 55, # 14 p. 2238 - 2242
  • Route3
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    • ~%
    • In-stock
      5-Bromoindolin-2-one|CS-W002616
      20870-78-4

    References

    • Journal of the American Chemical Society, , vol. 78, p. 221,222

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   29.1
  • LogP   1.9437
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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