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CS-W001157 4
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7-Bromo-6-fluoroisoquinoline

  • CAS No. 923022-40-6

  • Cat. No. CS-0171524
  • Molecule weight226.05
  • Purity≥95%
  • MDL No.None

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

7-Bromo-6-fluoroisoquinoline|CS-0171524

Structure of 923022-40-6

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General Information

  • CAS No. 923022-40-6
  • Cat. No. CS-0171524
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrFN
  • Molecular Weight 226.05
  • Synonym(s) 6-FLUORO-7-BROMOISOQUINOLINE
  • SMILES C1=CN=CC2=CC(=C(C=C12)F)Br

Description

7-Bromo-6-fluoroisoquinoline is a halogenated isoquinoline scaffold featuring complementary bromo and fluoro substituents at the 7- and 6-positions, respectively. This electron-deficient heterocycle enables selective cross-coupling reactions and serves as a key building block in medicinal chemistry and materials science. The strategic placement of halogens facilitates sequential functionalization under palladium-catalyzed conditions.

Application

7-Bromo-6-fluoroisoquinoline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions at the bromo position while retaining the fluoro group for further functionalization. Its high bench stability and compatibility with standard coupling protocols facilitate efficient access to complex heterocyclic scaffolds relevant to drug discovery.

Synthesis

  • Route1

    References

    • WO2010/75270 A1, ; Page/Page column 181 ; WO 2010/075270 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   12.89
  • LogP   3.1364
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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