CAS 874814-97-8

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

Description:

1,1-Dimethylethyl 4-(4-chloro-2-nitrophenyl)-1-piperazinecarboxylate, identified by its CAS number 874814-97-8, is a chemical compound that features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a dimethyl group, which contributes to its steric properties, and a chloro-nitrophenyl moiety that may impart specific electronic and reactivity characteristics. The carboxylate functional group suggests potential for interactions such as hydrogen bonding and ionic interactions, which can influence its solubility and reactivity in various environments. The presence of the nitro group typically indicates potential for electrophilic reactivity, while the chloro substituent can affect the compound's overall polarity and biological activity. Overall, this compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development, although specific biological activities would require further investigation.

Formula: C₁₅H₂₀ClN₃O₄

InChI: InChI=1S/C15H20ClN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)12-5-4-11(16)10-13(12)19(21)22/h4-5,10H,6-9H2,1-3H3

InChI key: InChIKey=OJIDLANQYRRUCV-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C=CC(Cl)=C1)N2CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1-Piperazinecarboxylic acid, 4-(4-chloro-2-nitrophenyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-(4-chloro-2-nitrophenyl)-1-piperazinecarboxylate
• 1-Boc-4-(4-chloro-2-nitrophenyl)piperazine