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CS-W001157 4
Total: USD 88.00

1,3-Dichloro-7-fluoroisoquinoline

  • CAS No. 941294-25-3

  • Cat. No. CS-0142377
  • Molecule weight216.04
  • Purity≥97%
  • MDL No.None

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

1,3-Dichloro-7-fluoroisoquinoline|CS-0142377

Structure of 941294-25-3

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General Information

  • CAS No. 941294-25-3
  • Cat. No. CS-0142377
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₄Cl₂FN
  • Molecular Weight 216.04
  • Synonym(s) None
  • SMILES FC1=CC2=C(C=C1)C=C(Cl)N=C2Cl

Description

1,3-Dichloro-7-fluoroisoquinoline features a sterically accessible isoquinoline core with strategically positioned halogens enabling direct functionalization. The electron-deficient ring system facilitates cross-coupling reactions under mild conditions, while the fluorine substituent enhances metabolic stability and modulates electronic properties. This compound serves as a key building block for bioactive heterocycles in medicinal chemistry.

Application

1,3-Dichloro-7-fluoroisoquinoline serves as a versatile building block in medicinal chemistry, enabling regioselective functionalization at the C-2 and C-4 positions via palladium-catalyzed cross-coupling. Its fluorinated isoquinoline core provides enhanced metabolic stability and improved membrane permeability, while the dichloro substituents offer orthogonal reactivity for sequential derivatization. The compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for scalable synthesis of kinase inhibitors and other bioactive heterocycles.

Safety Information

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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   3.6807
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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