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CAS 1068522-21-3

:

rel-1-(1,1-Dimethylethyl) (3R,4S)-3-phenyl-1,4-piperidinedicarboxylate

Description:
Rel-1-(1,1-Dimethylethyl) (3R,4S)-3-phenyl-1,4-piperidinedicarboxylate, identified by its CAS number 1068522-21-3, is a chemical compound characterized by its piperidine core structure, which features two carboxylate groups and a phenyl substituent. The presence of the tert-butyl group (1,1-dimethylethyl) contributes to its steric bulk, influencing its reactivity and interaction with biological targets. The specific stereochemistry, denoted by the (3R,4S) configuration, indicates the spatial arrangement of atoms around the chiral centers, which is crucial for its biological activity and potential pharmacological properties. This compound may exhibit properties typical of piperidine derivatives, such as potential use in medicinal chemistry, particularly in the development of drugs targeting the central nervous system or other therapeutic areas. Its solubility, stability, and reactivity would depend on the functional groups present and the overall molecular structure, making it a subject of interest for further research in organic synthesis and drug development.
Formula:C17H23NO4
InChI:InChI=1/C17H23NO4/c1-17(2,3)22-16(21)18-10-9-13(15(19)20)14(11-18)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)/t13-,14-/s2
InChI key:InChIKey=KHCTXOGRWQLHBK-ZCWZLOQUNA-N
SMILES:C(O)(=O)[C@@H]1[C@@H](CN(C(OC(C)(C)C)=O)CC1)C2=CC=CC=C2
Synonyms:
  • rel-1-(1,1-Dimethylethyl) (3R,4S)-3-phenyl-1,4-piperidinedicarboxylate
  • 1,4-Piperidinedicarboxylic acid, 3-phenyl-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
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