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1-(3,5-Dicarboxybenzyl)-1H-pyrazole-3,5-dicarboxylic acid

  • CAS No. 2170398-07-7

  • Cat. No. CS-0142577
  • Purity≥98%
  • MDL No.MFCD34179497

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

1-(3,5-Dicarboxybenzyl)-1H-pyrazole-3,5-dicarboxylic acid|CS-0142577

Structure of 2170398-07-7

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General Information

  • CAS No. 2170398-07-7
  • Cat. No. CS-0142577
  • Purity ≥98%
  • MDL No. MFCD34179497
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀N₂O₈
  • Molecular Weight 334.24
  • Synonym(s) None
  • SMILES O=C(O)C1=NN(C(=C1)C(=O)O)CC=2C=C(C=C(C2)C(=O)O)C(=O)O

Description

This pyrazole-based triacid features three carboxylic acid groups positioned for orthogonal functionalization, enabling precise conjugation in bioconjugation and materials assembly. The 3,5-dicarboxybenzyl linker provides enhanced solubility and stability under physiological conditions, while the electron-deficient pyrazole core facilitates controlled reactivity in synthetic workflows.

Application

1-(3,5-Dicarboxybenzyl)-1H-pyrazole-3,5-dicarboxylic acid serves as a versatile building block for the synthesis of functionalized heterocycles and bioactive scaffolds. Its three carboxylic acid groups enable facile derivatization via amide coupling, esterification, or metal chelation, while the pyrazole core provides structural rigidity and potential hydrogen-bonding capacity. The molecule exhibits good bench stability and solubility in polar solvents, facilitating purification and integration into multi-step synthetic sequences.

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-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   167.02
  • LogP   0.7242
  • H_Acceptors   6
  • H_Donors   4
  • Rotatable_Bonds   6

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