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CS-W001157 4
Total: USD 88.00

Pyrimidine-4,6-dicarboxylic acid

  • CAS No. 16490-02-1

  • Cat. No. CS-0045801
  • Purity≥98%
  • MDL No.MFCD00094473

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

Pyrimidine-4,6-dicarboxylic acid|CS-0045801

Structure of 16490-02-1

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General Information

  • CAS No. 16490-02-1
  • Cat. No. CS-0045801
  • Purity ≥98%
  • MDL No. MFCD00094473
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₄
  • Molecular Weight 168.11
  • Synonym(s) NSC 44347
  • SMILES O=C(O)C1=NC=NC(=C1)C(=O)O

Description

Pyrimidine-4,6-dicarboxylic acid features a rigid heteroaromatic core with two carboxylic acid groups positioned at the 4 and 6 ring positions. This configuration enables strong metal coordination, facilitating use in metal-organic frameworks and chelation chemistry. The compound exhibits enhanced solubility in polar solvents and stability under standard bench conditions.

Application

Pyrimidine-4,6-dicarboxylic acid serves as a versatile building block in heterocyclic synthesis, enabling efficient access to pyrimidine-based scaffolds prevalent in medicinal chemistry and agrochemical development. Its two carboxylic acid groups facilitate straightforward derivatization via amide bond formation, esterification, or metal coordination, while maintaining bench stability and ease of purification. The molecule functions effectively in standard coupling reactions and supports the construction of complex architectures through orthogonal functional group manipulation.

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   100.38
  • LogP   -0.127
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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