CAS 1160260-94-5

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

Description:

The chemical substance known as rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate, with the CAS number 1160260-94-5, is a pyrrolidine derivative characterized by its complex structure featuring a pyrrolidine ring with two carboxylate groups and a tert-butyl substituent. The presence of the 3,4-dichlorophenyl group contributes to its potential biological activity, as halogenated aromatic compounds often exhibit significant pharmacological properties. The stereochemistry indicated by the (3R,4S) configuration suggests specific spatial arrangements of atoms, which can influence the compound's reactivity and interactions with biological targets. This compound may be of interest in medicinal chemistry and drug development, particularly in the context of designing agents with specific therapeutic effects. Its solubility, stability, and reactivity would depend on the functional groups present and the overall molecular structure, making it a candidate for further investigation in various chemical and biological applications.

Formula: C₁₆H₁₉Cl₂NO₄

InChI: InChI=1/C16H19Cl2NO4/c1-16(2,3)23-15(22)19-7-10(11(8-19)14(20)21)9-4-5-12(17)13(18)6-9/h4-6,10-11H,7-8H2,1-3H3,(H,20,21)/t10-,11+/s2

InChI key: InChIKey=YAFUFMBNEFTUBN-WIBLRKLZNA-N

SMILES: C(O)(=O)[C@@H]1[C@H](CN(C(OC(C)(C)C)=O)C1)C2=CC(Cl)=C(Cl)C=C2

Synonyms:

• rel-(3R,4S)-1-(tert-Butoxycarbonyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxylic acid
• rel-1-(1,1-Dimethylethyl) (3R,4S)-4-(3,4-dichlorophenyl)-1,3-pyrrolidinedicarboxylate
• 1,3-Pyrrolidinedicarboxylic acid, 4-(3,4-dichlorophenyl)-, 1-(1,1-dimethylethyl) ester, (3R,4S)-rel-