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CS-W001157 4
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1,4-Dioxo-2,3-dihydrophthalazine-6-carboxylic acid

  • CAS No. 42972-13-4

  • Cat. No. CS-0060667
  • Purity≥96%
  • MDL No.None

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

1,4-Dioxo-2,3-dihydrophthalazine-6-carboxylic acid|CS-0060667

Structure of 42972-13-4

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General Information

  • CAS No. 42972-13-4
  • Cat. No. CS-0060667
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂O₄
  • Molecular Weight 206.15
  • Synonym(s) 1,4-Dioxo-1,2,3,4-tetrahydrophthalazine-6-carboxylic acid
  • SMILES C1=CC2=C(N=NC(=C2C=C1C(=O)O)O)O

Description

This phthalazine derivative features a conjugated diacid system enabling robust integration into bioconjugation workflows. The electron-deficient core pairs with nucleophilic partners under mild conditions, while the carboxylic acid moiety facilitates aqueous solubility and site-specific coupling.

Application

1,4-Dioxo-2,3-dihydrophthalazine-6-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of phthalazinone-based scaffolds. Its dual carbonyl and carboxylic acid functionalities support diverse transformations, including amidation, esterification, and cyclization reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis campaigns in API development and target-oriented drug discovery.

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   103.54
  • LogP   0.7392
  • H_Acceptors   5
  • H_Donors   3
  • Rotatable_Bonds   1

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