CAS 1260587-50-5

1,1-Dimethylethyl (2S)-2-(2-cyanoacetyl)-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl (2S)-2-(2-cyanoacetyl)-1-piperidinecarboxylate, with the CAS number 1260587-50-5, is a chemical compound characterized by its piperidine structure, which includes a carboxylate functional group and a cyanoacetyl moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and solubility. The presence of the cyano group indicates that it may participate in nucleophilic reactions, while the piperidine ring suggests potential basicity and the ability to form hydrogen bonds. The (2S) configuration denotes specific stereochemistry, which can affect the compound's biological activity and interactions with other molecules. Overall, this compound may be of interest in medicinal chemistry and organic synthesis due to its unique structural features and potential applications in drug development or as an intermediate in chemical synthesis.

Formula: C₁₃H₂₀N₂O₃

InChI: InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-9-5-4-6-10(15)11(16)7-8-14/h10H,4-7,9H2,1-3H3/t10-/m0/s1

InChI key: InChIKey=AFOBTHPZYTZXOH-JTQLQIEISA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C(CC#N)=O)CCCC1

Synonyms:

• (S)-tert-Butyl 2-(2-cyanoacetyl)piperidine-1-carboxylate
• 1-Piperidinecarboxylic acid, 2-(2-cyanoacetyl)-, 1,1-dimethylethyl ester, (2S)-
• 1,1-Dimethylethyl (2S)-2-(2-cyanoacetyl)-1-piperidinecarboxylate