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CAS 71418-88-7

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5-(phenylethynyl)pyrimidine

Description:
5-(Phenylethynyl)pyrimidine is an organic compound characterized by its pyrimidine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms at positions 1 and 3. The compound features a phenylethynyl substituent at the 5-position of the pyrimidine ring, contributing to its unique chemical properties. This structure allows for potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as the ethynyl group can enhance biological activity and facilitate interactions with biological targets. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its reactivity can be influenced by the presence of the electron-withdrawing nitrogen atoms in the pyrimidine ring, which can affect its electrophilic and nucleophilic properties. Additionally, 5-(phenylethynyl)pyrimidine may participate in various chemical reactions, including coupling reactions and nucleophilic substitutions, making it a valuable intermediate in organic synthesis. Overall, its distinctive structure and reactivity profile make it of interest in both research and industrial applications.
Formula:C12H8N2
InChI:InChI=1/C12H8N2/c1-2-4-11(5-3-1)6-7-12-8-13-10-14-9-12/h1-5,8-10H
SMILES:c1ccc(cc1)C#Cc1cncnc1
Synonyms:
  • Pyrimidine, 5-(2-Phenylethynyl)-
  • 5-(Phenylethynyl)pyrimidine
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