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CAS 1407516-48-6

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1,1-Dimethylethyl 4-(3-bromo-5-nitro-4-pyridinyl)-1-piperazinecarboxylate

Description:
1,1-Dimethylethyl 4-(3-bromo-5-nitro-4-pyridinyl)-1-piperazinecarboxylate, identified by its CAS number 1407516-48-6, is a chemical compound that features a piperazine ring, which is a six-membered cyclic amine, and a pyridine moiety substituted with bromine and nitro groups. This compound is characterized by its complex structure, which includes a tert-butyl group (1,1-dimethylethyl) that enhances its lipophilicity, potentially influencing its biological activity and solubility. The presence of the nitro group suggests that it may exhibit electrophilic properties, while the bromine atom can serve as a site for further chemical modifications. Such compounds are often studied for their pharmacological properties, including potential applications in medicinal chemistry. The specific interactions and reactivity of this compound would depend on its functional groups and overall molecular conformation, making it a candidate for further research in drug development or as a biochemical probe.
Formula:C14H19BrN4O4
InChI:InChI=1S/C14H19BrN4O4/c1-14(2,3)23-13(20)18-6-4-17(5-7-18)12-10(15)8-16-9-11(12)19(21)22/h8-9H,4-7H2,1-3H3
InChI key:InChIKey=DJHNIZVQJYVQNH-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(=C(Br)C=NC1)N2CCN(C(OC(C)(C)C)=O)CC2
Synonyms:
  • 1,1-Dimethylethyl 4-(3-bromo-5-nitro-4-pyridinyl)-1-piperazinecarboxylate
  • 1-Piperazinecarboxylic acid, 4-(3-bromo-5-nitro-4-pyridinyl)-, 1,1-dimethylethyl ester
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