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CS-W001157 4
Total: USD 88.00

7-Bromoisoquinolin-3-ol

  • CAS No. 662139-46-0

  • Cat. No. CS-0054289
  • Purity≥95%
  • MDL No.MFCD11040414

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

7-Bromoisoquinolin-3-ol|CS-0054289

Structure of 662139-46-0

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General Information

  • CAS No. 662139-46-0
  • Cat. No. CS-0054289
  • Purity ≥95%
  • MDL No. MFCD11040414
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO
  • Molecular Weight 224.06
  • Synonym(s) 7-Bromoisoquinolin-3-ol, 7-Bromoisoquinolin-3(2H)-one
  • SMILES OC1=CC2=C(C=N1)C=C(Br)C=C2

Description

7-Bromoisoquinolin-3-ol features a brominated isoquinoline scaffold with a phenolic hydroxyl group, enabling direct functionalization in cross-coupling and cyclization reactions. The electron-deficient heterocycle facilitates metal-catalyzed transformations, while the hydroxyl moiety offers a handle for derivatization under mild conditions. This bench-stable compound serves as a key intermediate in medicinal chemistry and materials science.

Application

7-Bromoisoquinolin-3-ol serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C3 hydroxyl and C7 bromine positions. Its bench-stable structure supports palladium-catalyzed cross-coupling reactions and nucleophilic substitution protocols, facilitating efficient access to complex isoquinoline-based scaffolds relevant to kinase inhibitors and CNS-targeted therapeutics.

Synthesis

  • Route1
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      1175271-87-0
    • ~%
    • In-stock
      7-Bromoisoquinolin-3-ol|CS-0054289
      662139-46-0
    • 5-Bromoisoquinolin-3(2H)-one|CS-0145698
      1175271-86-9

    References

    • US2009/197862 A1, ; Page/Page column 31 ;

Safety Information

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Computational Chemistry Data

  • TPSA   33.12
  • LogP   2.7029
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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