CAS 477220-35-2

1,1-Dimethylethyl (2S)-2-(2-oxoethyl)-4-(phenylmethyl)-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl (2S)-2-(2-oxoethyl)-4-(phenylmethyl)-1-piperazinecarboxylate, identified by its CAS number 477220-35-2, is a chemical compound that belongs to the class of piperazine derivatives. This compound features a piperazine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms. The presence of a carboxylate group indicates that it can participate in various chemical reactions, including esterification and amidation. The compound also contains a phenylmethyl group, which contributes to its lipophilicity and potential biological activity. The (2S)-configuration suggests chirality, which may influence its pharmacological properties and interactions with biological targets. Additionally, the presence of a ketone functional group (2-oxoethyl) may enhance its reactivity and ability to form hydrogen bonds. Overall, this compound's unique structural features may make it of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific biological activity and applications would require further investigation through empirical studies.

Formula: C₁₈H₂₆N₂O₃

InChI: InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-10-19(14-16(20)9-12-21)13-15-7-5-4-6-8-15/h4-8,12,16H,9-11,13-14H2,1-3H3/t16-/m0/s1

InChI key: InChIKey=JDLGPEFVTLRBOQ-INIZCTEOSA-N

SMILES: C(C=O)[C@@H]1N(C(OC(C)(C)C)=O)CCN(CC2=CC=CC=C2)C1

Synonyms:

• 1,1-Dimethylethyl (2S)-2-(2-oxoethyl)-4-(phenylmethyl)-1-piperazinecarboxylate
• (S)-4-Benzyl-2-(2-oxoethyl)piperazine-1-carboxylic acid tert-butyl ester
• 1-Piperazinecarboxylic acid, 2-(2-oxoethyl)-4-(phenylmethyl)-, 1,1-dimethylethyl ester, (2S)-