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CS-W001157 4
Total: USD 88.00

Isoquinoline-6-carboxylic acid

  • CAS No. 106778-43-2

  • Cat. No. CS-W003692
  • Purity≥96%
  • MDL No.MFCD09910323

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

Isoquinoline-6-carboxylic acid|CS-W003692

Structure of 106778-43-2

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General Information

  • CAS No. 106778-43-2
  • Cat. No. CS-W003692
  • Purity ≥96%
  • MDL No. MFCD09910323
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₂
  • Molecular Weight 173.17
  • Synonym(s) None
  • SMILES O=C(O)C=1C=CC=2C=NC=CC2C1

Application

Isoquinoline-6-carboxylic acid serves as a versatile scaffold for medicinal chemistry and materials science, enabling direct functionalization at the 6-position via standard carboxylic acid transformations. Its rigid heteroaromatic core provides enhanced metabolic stability and favorable pharmacokinetic properties in bioactive molecule design. The compound exhibits excellent bench stability, facilitates straightforward derivatization (e.g., amide formation, esterification), and demonstrates broad compatibility with common coupling reagents, making it a practical building block for API development and combinatorial library synthesis.

Synthesis

  • Route1

    References

    • Eisai Co., Ltd. Patent: EP1669348 A1, 2006 ; Location in patent: Page/Page column 66 ;
  • Route2

    References

    • Chan, Laval; Jin, Haolun; Stefanac, Tomislav; Wang, Wei; Lavallee, Jean-Francois; Bedard, Jean; May, Suzanne Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 17 p. 2583 - 2586
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 9, # 17 p. 2583 - 2586

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

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   1.933
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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