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CAS 1196156-89-4

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2-Chloro-5-ethynylpyrimidine

Description:
2-Chloro-5-ethynylpyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a chlorine atom at the second position and an ethynyl group at the fifth position. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents such as dimethyl sulfoxide (DMSO) and acetone, but has limited solubility in water. The presence of the ethynyl group contributes to its reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The chlorine substituent can also influence its electronic properties and reactivity, allowing for further functionalization. 2-Chloro-5-ethynylpyrimidine may be utilized in various chemical reactions, including cross-coupling reactions and nucleophilic substitutions, due to its ability to participate in electrophilic aromatic substitution. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, this compound is significant in synthetic organic chemistry and medicinal chemistry applications.
Formula:C6H3ClN2
InChI:InChI=1S/C6H3ClN2/c1-2-5-3-8-6(7)9-4-5/h1,3-4H
InChI key:InChIKey=DSPBPHGCXOTQQN-UHFFFAOYSA-N
SMILES:C(#C)C=1C=NC(Cl)=NC1
Synonyms:
  • Pyrimidine, 2-chloro-5-ethynyl-
  • 2-Chloro-5-ethynylpyrimidine
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