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CAS 2006277-94-5

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Ethyl 2-cyano-5-pyrimidinecarboxylate

Description:
Ethyl 2-cyano-5-pyrimidinecarboxylate is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a cyano group (-CN) and an ethyl ester functional group, contributing to its reactivity and potential applications in organic synthesis. Typically, it appears as a colorless to pale yellow liquid or solid, depending on its purity and form. Ethyl 2-cyano-5-pyrimidinecarboxylate is known for its role in various chemical reactions, including nucleophilic substitutions and as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its properties include moderate solubility in organic solvents and stability under standard conditions, although it may be sensitive to moisture and light. As with many cyano-containing compounds, it is important to handle it with care due to potential toxicity and environmental concerns. Always refer to safety data sheets and conduct thorough risk assessments when working with this substance.
Formula:C8H7N3O2
InChI:InChI=1S/C8H7N3O2/c1-2-13-8(12)6-4-10-7(3-9)11-5-6/h4-5H,2H2,1H3
InChI key:InChIKey=HUBRAGRIDXEVHW-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C=NC(C#N)=NC1
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 2-cyano-, ethyl ester
  • Ethyl 2-cyano-5-pyrimidinecarboxylate
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