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CAS 1161787-84-3

:

rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(2-cyanophenyl)-1,3-pyrrolidinedicarboxylate

Description:
Rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(2-cyanophenyl)-1,3-pyrrolidinedicarboxylate is a chemical compound characterized by its specific stereochemistry and functional groups. It features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle, and is substituted with two carboxylate groups, enhancing its potential for various chemical reactions and interactions. The presence of a 2-cyanophenyl group indicates that it has a phenyl ring with a cyano group, contributing to its polarity and potential reactivity. The tert-butyl group (1,1-dimethylethyl) adds steric bulk, which can influence the compound's solubility and reactivity. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for research in medicinal chemistry. Its specific stereochemistry (3R,4S) suggests that it may have distinct properties compared to its stereoisomers, which can be crucial in determining its biological activity and interaction with biological targets. Overall, this compound's unique structure positions it as a subject of interest in various chemical and pharmaceutical applications.
Formula:C17H20N2O4
InChI:InChI=1/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13(14(10-19)15(20)21)12-7-5-4-6-11(12)8-18/h4-7,13-14H,9-10H2,1-3H3,(H,20,21)/t13-,14+/s2
InChI key:InChIKey=BHWWHVJMCKAYGA-DUXBJXIBNA-N
SMILES:C(O)(=O)[C@H]1[C@@H](CN(C(OC(C)(C)C)=O)C1)C2=C(C#N)C=CC=C2
Synonyms:
  • 1,3-Pyrrolidinedicarboxylic acid, 4-(2-cyanophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-
  • rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(2-cyanophenyl)-1,3-pyrrolidinedicarboxylate
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