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CS-W001157 4
Total: USD 88.00

2-Phenylpyrimidine-4-carboxylic acid

  • CAS No. 16879-53-1

  • Cat. No. CS-0156374
  • Purity≥97%
  • MDL No.MFCD11519878

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

2-Phenylpyrimidine-4-carboxylic acid|CS-0156374

Structure of 16879-53-1

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General Information

  • CAS No. 16879-53-1
  • Cat. No. CS-0156374
  • Purity ≥97%
  • MDL No. MFCD11519878
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂O₂
  • Molecular Weight 200.19
  • Synonym(s) 2-phenyl-4-pyrimidinecarboxylic acid
  • SMILES C1=CC=C(C=C1)C2=NC=CC(=N2)C(=O)O

Description

2-Phenylpyrimidine-4-carboxylic acid features a rigid, electron-deficient pyrimidine core functionalized with a phenyl group and a carboxylic acid moiety, enabling direct integration into pharmaceutical scaffolds. This structural motif supports hydrogen bonding and dipole interactions, enhancing target binding affinity in kinase inhibitors and other bioactive molecules.

Application

2-Phenylpyrimidine-4-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard coupling reactions. Its well-defined functional group pattern—aryl, pyrimidine, and carboxylic acid—facilitates direct derivatization via amide, ester, or amidation protocols. The compound exhibits good bench stability and compatibility with common reaction conditions, supporting efficient synthesis of pharmaceutical candidates and functional materials.

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   63.08
  • LogP   1.8418
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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