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CS-W001157 4
Total: USD 88.00

7-Bromo-1-chloroisoquinoline

  • CAS No. 215453-51-3

  • Cat. No. CS-W012762
  • Purity≥97%
  • MDL No.MFCD04039320

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

7-Bromo-1-chloroisoquinoline|CS-W012762

Structure of 215453-51-3

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General Information

  • CAS No. 215453-51-3
  • Cat. No. CS-W012762
  • Purity ≥97%
  • MDL No. MFCD04039320
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrClN
  • Molecular Weight None
  • Synonym(s) None
  • SMILES ClC1=NC=CC2=C1C=C(Br)C=C2

Description

7-Bromo-1-chloroisoquinoline is a halogenated isoquinoline scaffold featuring complementary reactive sites for cross-coupling and functionalization. The bromine at the 7-position enables palladium-catalyzed coupling, while the chlorine at the 1-position offers stability under standard conditions. This dual-halogenation pattern facilitates sequential derivatization in medicinal chemistry and materials synthesis.

Application

7-Bromo-1-chloroisoquinoline serves as a versatile building block for the synthesis of functionalized isoquinoline scaffolds. The orthogonal reactivity of bromo and chloro substituents enables sequential cross-coupling reactions, facilitating the construction of complex heterocycles. Its bench-stable nature and compatibility with palladium-catalyzed transformations make it well-suited for medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • WO2005/120509 A1, ; Page/Page column 69-70 ; WO 2005/120509 A1
  • Route2
    • 3-(4-Bromophenyl)acrylic acid Ozagrel Impurity|CS-0228823
      1200-07-3
    • ~%
    • In-stock
      7-Bromo-1-chloroisoquinoline|CS-W012762
      215453-51-3

    References

    • Synthetic Communications, , vol. 35, # 5 p. 725 - 730
  • Route3
    • null|null
      27465-66-3
    • ~%
    • In-stock
      7-Bromo-1-chloroisoquinoline|CS-W012762
      215453-51-3

    References

    • Synthetic Communications, , vol. 35, # 5 p. 725 - 730

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335-H301-H318
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P310-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.89
  • LogP   3.6507
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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