CAS 959578-30-4

1-(1,1-Dimethylethyl) (2R)-2-[(3-cyanophenyl)methyl]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2R)-2-[(3-cyanophenyl)methyl]-1,2-pyrrolidinedicarboxylate, with the CAS number 959578-30-4, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring with two carboxylate groups and a tert-butyl substituent. This compound features a cyanophenyl group, which contributes to its potential applications in medicinal chemistry and organic synthesis. The presence of the pyrrolidine moiety suggests that it may exhibit interesting biological activities, possibly acting as a ligand or a precursor in drug development. Its molecular structure indicates that it may possess specific stereochemical properties, particularly due to the (2R) configuration, which can influence its reactivity and interaction with biological targets. Additionally, the presence of functional groups such as carboxylates and a cyano group may enhance its solubility and reactivity in various chemical environments. Overall, this compound represents a unique structure that could be of interest in various fields, including pharmaceuticals and materials science.

Formula: C₁₈H₂₂N₂O₄

InChI: InChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)20-9-5-8-18(20,15(21)22)11-13-6-4-7-14(10-13)12-19/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,21,22)/t18-/m1/s1

InChI key: InChIKey=ZLTRKDHDWPBJPO-GOSISDBHSA-N

SMILES: C([C@]1(C(O)=O)N(C(OC(C)(C)C)=O)CCC1)C2=CC(C#N)=CC=C2

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 2-[(3-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2R)-
• 1-(1,1-Dimethylethyl) (2R)-2-[(3-cyanophenyl)methyl]-1,2-pyrrolidinedicarboxylate