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CAS 1221791-90-7

:

Methyl 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-5-nitrobenzoate

Description:
Methyl 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-5-nitrobenzoate, identified by its CAS number 1221791-90-7, is a synthetic organic compound characterized by its complex molecular structure. It features a methyl ester functional group, which contributes to its solubility in organic solvents. The presence of a nitro group indicates potential reactivity and may influence its electronic properties, making it a candidate for various chemical reactions. The piperidine ring in its structure suggests that it may exhibit basic properties, which can affect its interaction with biological systems. Additionally, the dimethylethoxycarbonyl group provides steric hindrance, potentially impacting its reactivity and pharmacokinetics. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its unique structural features that could confer specific biological activities. Overall, its characteristics suggest a versatile compound with potential applications in drug development and chemical synthesis.
Formula:C18H25N3O6
InChI:InChI=1S/C18H25N3O6/c1-18(2,3)27-17(23)19-12-6-5-9-20(11-12)15-8-7-13(21(24)25)10-14(15)16(22)26-4/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,19,23)
InChI key:InChIKey=CQZGZCAGOSAFCA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(C=CC(N(=O)=O)=C1)N2CC(NC(OC(C)(C)C)=O)CCC2
Synonyms:
  • Benzoic acid, 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-5-nitro-, methyl ester
  • Methyl 2-[3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]-5-nitrobenzoate
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