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CS-W001157 4
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8-Iodoisoquinoline

  • CAS No. 1131605-27-0

  • Cat. No. CS-0187286
  • Molecule weight255.06
  • Purity≥96%
  • MDL No.MFCD11865312

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

8-Iodoisoquinoline|CS-0187286

Structure of 1131605-27-0

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General Information

  • CAS No. 1131605-27-0
  • Cat. No. CS-0187286
  • Purity ≥96%
  • MDL No. MFCD11865312
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆IN
  • Molecular Weight 255.06
  • Synonym(s) None
  • SMILES C1=CC2=CC=NC=C2C(=C1)I

Description

8-Iodoisoquinoline is a halogenated heterocycle featuring a reactive iodine substituent at the 8-position, enabling direct functionalization in cross-coupling reactions. This bench-stable, electron-deficient scaffold integrates readily into complex molecular architectures, serving as a pivotal building block in medicinal chemistry and materials science.

Application

8-Iodoisoquinoline serves as a versatile building block in medicinal chemistry and catalytic cross-coupling reactions. The iodine substituent enables reliable Suzuki, Stille, and Negishi couplings, facilitating the construction of complex heterocyclic architectures. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for iterative synthesis workflows and API development.

Synthesis

  • Route1

    References

    • Kirkpatrick, Lindsey M.; Vinueza, Nelson R.; Jankiewicz, Bartlomiej J.; Gallardo, Vanessa A.; Archibold, Enada F.; Nash, John J.; Kenttaemaa, Hilkka I. Chemistry - A European Journal, 2013 , vol. 19, # 27 p. 9022 - 9033

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   2.8394
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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