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CAS 942271-61-6

:

tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate

Description:
Tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate, identified by its CAS number 942271-61-6, is a chemical compound characterized by its complex structure, which includes a tert-butyl ester group, a nitro group, and a piperazine moiety. This compound typically exhibits moderate solubility in organic solvents, reflecting its hydrophobic tert-butyl group and polar nitro and piperazine functionalities. The presence of the nitro group suggests potential reactivity, particularly in electrophilic substitution reactions. The piperazine ring contributes to its basicity and can engage in hydrogen bonding, influencing its interactions in biological systems. This compound may be of interest in medicinal chemistry due to its potential pharmacological properties, particularly in the development of therapeutic agents. Its stability under standard conditions is generally good, although care should be taken to avoid strong acids or bases that could hydrolyze the ester bond. Overall, tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate represents a versatile structure for further chemical exploration and application.
Formula:C16H23N3O4
InChI:InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)13-6-5-12(11-14(13)19(21)22)18-9-7-17(4)8-10-18/h5-6,11H,7-10H2,1-4H3
InChI key:InChIKey=PNTUIHOIJCQTSU-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C=C(C=CC1C(OC(C)(C)C)=O)N2CCN(C)CC2
Synonyms:
  • Benzoic acid, 4-(4-methyl-1-piperazinyl)-2-nitro-, 1,1-dimethylethyl ester
  • 4-(4-Methylpiperazin-1-yl)-2-nitrobenzoic acid tert-butyl ester
  • tert-Butyl 4-(4-methylpiperazin-1-yl)-2-nitrobenzoate
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