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CS-W001157 4
Total: USD 88.00

6-Fluoroisoquinoline

  • CAS No. 1075-11-2

  • Cat. No. CS-W019741
  • Purity≥97%
  • MDL No.MFCD11226829

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

6-Fluoroisoquinoline|CS-W019741

Structure of 1075-11-2

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General Information

  • CAS No. 1075-11-2
  • Cat. No. CS-W019741
  • Purity ≥97%
  • MDL No. MFCD11226829
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆FN
  • Molecular Weight 147.15
  • Synonym(s) 6-Fluor-isochinolin
  • SMILES FC1=CC=C2C=NC=CC2=C1

Description

6-Fluoroisoquinoline is a bench-stable, electron-deficient heterocycle featuring a fluorine atom at the 6-position, enhancing its reactivity in cross-coupling and electrophilic substitution. This scaffold integrates readily into pharmaceutical intermediates and functional materials, offering improved solubility and metabolic stability compared to non-fluorinated analogs.

Application

6-Fluoroisoquinoline serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C-1 and C-3 positions via palladium-catalyzed cross-coupling reactions. Its fluorinated aromatic core provides enhanced metabolic stability and modulated electronic properties, while maintaining bench stability and compatibility with standard purification techniques. Functions effectively as a heterocyclic scaffold in the synthesis of bioactive molecules and pharmaceutical intermediates.

Synthesis

  • Route1
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    • ~%
    • In-stock
      6-Fluoroisoquinoline|CS-W019741
      1075-11-2

    References

    • WO2007/240 A1, ; Page/Page column 43 ; WO 2007/000240 A1
  • Route2

    References

    • Lee, Hong Geun; Milner, Phillip J.; Buchwald, Stephen L. Journal of the American Chemical Society, 2014 , vol. 136, # 10 p. 3792 - 3795
  • Route3
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~%
    • In-stock
      6-Fluoroisoquinoline|CS-W019741
      1075-11-2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 4 p. 715 - 734

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   12.89
  • LogP   2.3739
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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