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CAS 36802-47-8

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5-Pyrimidinecarboxylic acid, 2,4-dichloro-6-methyl-, ethyl ester

Description:
5-Pyrimidinecarboxylic acid, 2,4-dichloro-6-methyl-, ethyl ester, identified by the CAS number 36802-47-8, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group that is esterified with an ethyl group, contributing to its solubility in organic solvents. The presence of two chlorine atoms at the 2 and 4 positions, along with a methyl group at the 6 position, introduces significant steric and electronic effects, influencing its reactivity and potential applications. Typically, such compounds may exhibit biological activity, making them of interest in pharmaceutical research. The molecular structure suggests that it may participate in various chemical reactions, including nucleophilic substitutions and ester hydrolysis. Its physical properties, such as melting point and boiling point, would depend on the specific molecular interactions and the presence of functional groups. Overall, this compound represents a class of pyrimidine derivatives that can be explored for various synthetic and medicinal chemistry applications.
Formula:C8H8Cl2N2O2
InChI:InChI=1S/C8H8Cl2N2O2/c1-3-14-7(13)5-4(2)11-8(10)12-6(5)9/h3H2,1-2H3
InChI key:InChIKey=NBLFZEOAMBXUEI-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(C)=NC(Cl)=NC1Cl
Synonyms:
  • 5-Pyrimidinecarboxylic acid, 2,4-dichloro-6-methyl-, ethyl ester
  • Ethyl 2,4-dichloro-6-methylpyrimidine-5-carboxylate
  • 4-Pyrimidinecarboxylic acid, 2,4-dichloro-6-methyl-, ethyl ester
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