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CS-W001157 4
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5-Bromo-1H-inden-2(3H)-one

  • CAS No. 174349-93-0

  • Cat. No. CS-W005800
  • Molecule weight211.06
  • Purity≥95%
  • MDL No.MFCD07778391

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

5-Bromo-1H-inden-2(3H)-one|CS-W005800

Structure of 174349-93-0

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General Information

  • CAS No. 174349-93-0
  • Cat. No. CS-W005800
  • Purity ≥95%
  • MDL No. MFCD07778391
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrO
  • Molecular Weight 211.06
  • Synonym(s) 5-Bromoindan-2-one
  • SMILES BrC1=CC=C2CC(=O)CC2=C1

Description

5-Bromo-1H-inden-2(3H)-one features a brominated indenone core with enhanced reactivity at the carbonyl and adjacent positions. This bench-stable, moisture-tolerant compound integrates readily into synthetic routes for bioactive heterocycles and functional materials. Its electron-deficient aromatic system facilitates transition-metal-catalyzed couplings and nucleophilic additions under standard conditions.

Application

5-Bromo-1H-inden-2(3H)-one serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to indenone-based scaffolds. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the enone functionality supports nucleophilic addition and conjugate functionalization. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for iterative synthetic workflows in API development and library generation.

Synthesis

  • Route1

    References

    • Tetrahedron Asymmetry, , vol. 18, # 6 p. 717 - 723
  • Route2

    References

    • Tetrahedron Asymmetry, , vol. 18, # 6 p. 717 - 723

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1168
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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