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CAS 870703-72-3

:

1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate

Description:
1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate, with the CAS number 870703-72-3, is a chemical compound characterized by its complex structure, which includes a piperazine ring, a carboxylic acid group, and a nitrophenyl moiety. This compound is typically classified as an organic molecule and may exhibit properties such as solubility in polar solvents due to the presence of carboxylic acid functionality. The dimethyl group contributes to its steric bulk, potentially influencing its reactivity and interaction with biological targets. The nitro group can impart additional electronic effects, which may enhance its biological activity or reactivity. Such compounds are often studied for their potential applications in pharmaceuticals, particularly in the development of drugs targeting specific receptors or enzymes. The presence of multiple functional groups suggests that it may participate in various chemical reactions, including esterification or nucleophilic substitution. Overall, this compound's unique structural features make it a subject of interest in medicinal chemistry and related fields.
Formula:C16H21N3O6
InChI:InChI=1/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)12-5-4-11(14(20)21)10-13(12)19(23)24/h4-5,10H,6-9H2,1-3H3,(H,20,21)
InChI key:InChIKey=CYGRJUZYSXUAMM-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C=CC(C(O)=O)=C1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1-Boc-4-(4-carboxy-2-nitrophenyl)piperazine, 4-[(tert-Butoxycarbonyl)-piperazin-1-yl]-3-nitrobenzoic acid
  • 1-(1,1-Dimethylethyl) 4-(4-carboxy-2-nitrophenyl)-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-(4-carboxy-2-nitrophenyl)-, 1-(1,1-dimethylethyl) ester
  • See more synonyms
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