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CAS 1242268-07-0

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Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate

Description:
Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate, identified by its CAS number 1242268-07-0, is a synthetic organic compound characterized by its complex molecular structure, which includes a piperazine ring and a nitrobenzoate moiety. This compound typically exhibits properties associated with both piperazine derivatives and nitrobenzoates, such as potential pharmacological activity, including anxiolytic or antidepressant effects, due to the presence of the piperazine ring. The presence of the nitro group may also influence its reactivity and solubility in various solvents. Methyl esters, like the benzoate in this compound, are often used in medicinal chemistry for their ability to enhance bioavailability. The compound's structure suggests it may interact with biological targets, making it of interest in drug development. However, specific characteristics such as melting point, boiling point, and solubility would require empirical data for precise determination. As with many synthetic compounds, safety and handling precautions are essential due to potential toxicity or reactivity.
Formula:C22H27N3O4
InChI:InChI=1S/C22H27N3O4/c1-16(2)21-15-23(14-17-7-5-4-6-8-17)11-12-24(21)20-10-9-18(25(27)28)13-19(20)22(26)29-3/h4-10,13,16,21H,11-12,14-15H2,1-3H3
InChI key:InChIKey=AHAURRPMZVUDDQ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C=CC(N(=O)=O)=C1)N2C(C(C)C)CN(CC3=CC=CC=C3)CC2
Synonyms:
  • Methyl 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitrobenzoate
  • Benzoic acid, 2-[2-(1-methylethyl)-4-(phenylmethyl)-1-piperazinyl]-5-nitro-, methyl ester
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