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CAS 675602-57-0

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Methyl 4-[[[(4-methylphenyl)methyl]amino]methyl]-3-nitrobenzoate

Description:
Methyl 4-[[[(4-methylphenyl)methyl]amino]methyl]-3-nitrobenzoate, identified by its CAS number 675602-57-0, is an organic compound characterized by its complex molecular structure, which includes a methyl ester functional group and a nitro group. This compound features a benzoate moiety, indicating it is derived from benzoic acid, with additional substituents that enhance its chemical reactivity and potential applications. The presence of the nitro group suggests that it may exhibit electrophilic properties, making it useful in various chemical reactions. The methylphenyl and amino groups contribute to its hydrophobic characteristics, which can influence its solubility and interaction with biological systems. Such compounds are often studied for their potential pharmaceutical applications, including as intermediates in drug synthesis or as active pharmaceutical ingredients. Overall, the unique combination of functional groups in this compound may lead to interesting chemical behavior and potential utility in medicinal chemistry.
Formula:C17H18N2O4
InChI:InChI=1S/C17H18N2O4/c1-12-3-5-13(6-4-12)10-18-11-15-8-7-14(17(20)23-2)9-16(15)19(21)22/h3-9,18H,10-11H2,1-2H3
InChI key:InChIKey=YRANSWQWROMHIE-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(CNCC2=CC=C(C)C=C2)C=CC(C(OC)=O)=C1
Synonyms:
  • Benzoic acid, 4-[[[(4-methylphenyl)methyl]amino]methyl]-3-nitro-, methyl ester
  • Methyl 4-[[[(4-methylphenyl)methyl]amino]methyl]-3-nitrobenzoate
  • Methyl 4-{[(4-methylbenzyl)amino]methyl}-3-nitrobenzoate
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