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CAS 1427460-33-0

:

Methyl 2-chloro-6-(hexahydro-1H-1,4-diazepin-1-yl)-4-pyridinecarboxylate

Description:
Methyl 2-chloro-6-(hexahydro-1H-1,4-diazepin-1-yl)-4-pyridinecarboxylate is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with a carboxylate group and a chlorine atom, as well as a hexahydro-1H-1,4-diazepine moiety. This compound is likely to exhibit properties typical of both pyridine derivatives and diazepines, such as potential biological activity, including antimicrobial or anti-inflammatory effects. The presence of the chlorine atom may influence its reactivity and solubility in various solvents. The hexahydro-1H-1,4-diazepine structure suggests that it may participate in hydrogen bonding and could exhibit basic properties due to the nitrogen atoms in the ring. Additionally, the methyl ester functionality indicates that it may undergo hydrolysis under certain conditions, releasing the corresponding carboxylic acid. Overall, this compound's unique structural features may contribute to its potential applications in pharmaceuticals or agrochemicals, although specific biological activities would require further investigation.
Formula:C12H16ClN3O2
InChI:InChI=1S/C12H16ClN3O2/c1-18-12(17)9-7-10(13)15-11(8-9)16-5-2-3-14-4-6-16/h7-8,14H,2-6H2,1H3
InChI key:InChIKey=PNBUKXIDAMKBCZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(N=C(Cl)C1)N2CCCNCC2
Synonyms:
  • 4-Pyridinecarboxylic acid, 2-chloro-6-(hexahydro-1H-1,4-diazepin-1-yl)-, methyl ester
  • Methyl 2-chloro-6-(hexahydro-1H-1,4-diazepin-1-yl)-4-pyridinecarboxylate
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