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CAS 1044770-40-2

:

5-Pyrimidinecarboxylic acid, 4-chloro-2-cyclopropyl-, ethyl ester

Description:
5-Pyrimidinecarboxylic acid, 4-chloro-2-cyclopropyl-, ethyl ester, identified by CAS number 1044770-40-2, is a chemical compound that features a pyrimidine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms at positions 1 and 3. This compound is characterized by the presence of a carboxylic acid functional group and an ethyl ester moiety, which contributes to its solubility and reactivity. The chloro substituent at the 4-position and the cyclopropyl group at the 2-position of the pyrimidine ring influence its chemical properties, potentially affecting its biological activity and interaction with other molecules. Typically, such compounds may exhibit various pharmacological properties, making them of interest in medicinal chemistry. The presence of the cyclopropyl group can enhance lipophilicity, while the ester functionality may participate in hydrolysis reactions under certain conditions. Overall, this compound's unique structural features suggest potential applications in drug development and synthesis.
Formula:C10H11ClN2O2
InChI:InChI=1S/C10H11ClN2O2/c1-2-15-10(14)7-5-12-9(6-3-4-6)13-8(7)11/h5-6H,2-4H2,1H3
InChI key:InChIKey=TVSRPYXFKHJLDU-UHFFFAOYSA-N
SMILES:ClC1=NC(=NC=C1C(OCC)=O)C2CC2
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 4-chloro-2-cyclopropyl-, ethyl ester
  • Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate
  • Ethyl 4-chloro-2-cyclopropyl-5-pyrimidinecarboxylate
  • Ethyl 4-chloro-2-cyclopropylpyrimidine-6-carboxylate
  • 4-Chloro-2-cyclopropyl-pyrimidine-5-carboxylic acid ethyl ester
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