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CAS 1256633-29-0

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Methyl 3-chloro-4-(4-methyl-1-piperazinyl)benzoate

Description:
Methyl 3-chloro-4-(4-methyl-1-piperazinyl)benzoate is an organic compound characterized by its complex structure, which includes a benzoate moiety, a chlorine substituent, and a piperazine ring. The presence of the methyl group on the piperazine enhances its lipophilicity, potentially influencing its biological activity and solubility in organic solvents. This compound is typically a white to off-white solid, and its molecular structure suggests it may exhibit pharmacological properties, making it of interest in medicinal chemistry. The chlorine atom introduces a polar functional group, which can affect the compound's reactivity and interaction with biological targets. Additionally, the ester functional group (from the benzoate) may undergo hydrolysis under certain conditions, leading to the release of the corresponding acid and alcohol. Overall, Methyl 3-chloro-4-(4-methyl-1-piperazinyl)benzoate is a compound that combines features of both aromatic and aliphatic chemistry, making it a subject of interest for further research in various chemical and pharmaceutical applications.
Formula:C13H17ClN2O2
InChI:InChI=1S/C13H17ClN2O2/c1-15-5-7-16(8-6-15)12-4-3-10(9-11(12)14)13(17)18-2/h3-4,9H,5-8H2,1-2H3
InChI key:InChIKey=CCHYJZXLHBLDSG-UHFFFAOYSA-N
SMILES:ClC1=C(C=CC(C(OC)=O)=C1)N2CCN(C)CC2
Synonyms:
  • Methyl 3-chloro-4-(4-methyl-1-piperazinyl)benzoate
  • Benzoic acid, 3-chloro-4-(4-methyl-1-piperazinyl)-, methyl ester
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