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CS-W001157 4
Total: USD 88.00

4,6-Dichloropyrimidine-5-carboxylic acid

  • CAS No. 87600-98-4

  • Cat. No. CS-W019619
  • Purity≥95%
  • MDL No.MFCD09909611

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

4,6-Dichloropyrimidine-5-carboxylic acid|CS-W019619

Structure of 87600-98-4

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General Information

  • CAS No. 87600-98-4
  • Cat. No. CS-W019619
  • Purity ≥95%
  • MDL No. MFCD09909611
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂Cl₂N₂O₂
  • Molecular Weight 192.99
  • Synonym(s) 4,6-Dichloro-5-pyrimidinecarboxylic acid; Acide 4,6-dichloropyrimidine-5-carboxylique
  • SMILES O=C(C1=C(Cl)N=CN=C1Cl)O

Description

4,6-Dichloropyrimidine-5-carboxylic acid features a rigid pyrimidine core functionalized with two chlorine atoms and a carboxylic acid group, enabling direct incorporation into bioactive molecules. The electron-deficient heterocycle facilitates nucleophilic substitution reactions under mild conditions, while the carboxylic acid offers versatile coupling handles for peptide and macrocycle synthesis. This compound serves as a key building block in medicinal chemistry campaigns targeting kinase inhibitors and antiviral agents.

Application

4,6-Dichloropyrimidine-5-carboxylic acid serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. The dichloro substitution enables selective functionalization at C4 and C6 positions, while the carboxylic acid group facilitates coupling reactions, derivatization, or salt formation. Its stability under standard reaction conditions and compatibility with diverse transformations make it suitable for constructing pyrimidine-based scaffolds commonly found in kinase inhibitors and antiviral agents.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   63.08
  • LogP   1.4816
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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