CAS 1354486-72-8

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylethyl)phenoxy]-1,2-pyrrolidinedicarboxylate

Description:

1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylethyl)phenoxy]-1,2-pyrrolidinedicarboxylate, with the CAS number 1354486-72-8, is a chemical compound characterized by its complex structure, which includes a pyrrolidine ring and multiple functional groups. This substance features a chiral center, indicating that it can exist in different stereoisomeric forms, which may influence its biological activity and interactions. The presence of a chloro substituent and bulky tert-butyl groups suggests that it may exhibit significant lipophilicity, potentially affecting its solubility and permeability in biological systems. Additionally, the dicarboxylate moiety may impart acidic properties, influencing its reactivity and interactions with other molecules. Such characteristics make it of interest in various fields, including medicinal chemistry and agrochemicals, where it may serve as a lead compound for the development of new therapeutic agents or pesticides. Understanding its properties is crucial for predicting its behavior in biological systems and its potential applications.

Formula: C₂₀H₂₈ClNO₅

InChI: InChI=1S/C20H28ClNO5/c1-19(2,3)12-7-8-16(14(21)9-12)26-13-10-15(17(23)24)22(11-13)18(25)27-20(4,5)6/h7-9,13,15H,10-11H2,1-6H3,(H,23,24)/t13-,15-/m0/s1

InChI key: InChIKey=MBGQAMBJZQCCJQ-ZFWWWQNUSA-N

SMILES: C(OC(C)(C)C)(=O)N1[C@H](C(O)=O)C[C@H](OC2=C(Cl)C=C(C(C)(C)C)C=C2)C1

Synonyms:

• 1,2-Pyrrolidinedicarboxylic acid, 4-[2-chloro-4-(1,1-dimethylethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)-
• 1-(1,1-Dimethylethyl) (2S,4S)-4-[2-chloro-4-(1,1-dimethylethyl)phenoxy]-1,2-pyrrolidinedicarboxylate