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1-Oxo-1,2-dihydroisoquinoline-6-carboxylic acid

  • CAS No. 1301214-60-7

  • Cat. No. CS-0329071
  • Purity≥98%
  • MDL No.None

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

1-Oxo-1,2-dihydroisoquinoline-6-carboxylic acid|CS-0329071

Structure of 1301214-60-7

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General Information

  • CAS No. 1301214-60-7
  • Cat. No. CS-0329071
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₃
  • Molecular Weight 189.17
  • Synonym(s) 1-Hydroxyisoquinoline-6-carboxylic acid
  • SMILES C1=C(C=C2C=CNC(=O)C2=C1)C(=O)O

Description

This isoquinoline derivative features a conjugated carbonyl and carboxylic acid moiety, enabling direct integration into heterocyclic synthesis. The electron-deficient ring system supports transition metal-catalyzed couplings and facilitates functionalization at the 5- and 7-positions under mild conditions. Bench-stable and moisture-tolerant, it serves as a key scaffold for bioactive molecule development.

Application

1-Oxo-1,2-dihydroisoquinoline-6-carboxylic acid serves as a versatile scaffold for heterocyclic synthesis, enabling efficient access to isoquinoline-based medicinal intermediates. Its carboxylic acid functionality facilitates direct derivatization and coupling reactions, while the ortho-quinone-like structure supports electrophilic substitution and metal-catalyzed transformations. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step synthetic sequences targeting bioactive molecules.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   70.16
  • LogP   1.2263
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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