CAS 112937-98-1

3-[4-(1,1-Dimethylethyl)phenyl]pyrrolidine

Description:

3-[4-(1,1-Dimethylethyl)phenyl]pyrrolidine, identified by its CAS number 112937-98-1, is an organic compound characterized by its pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. The compound features a phenyl group substituted with a tert-butyl group (1,1-dimethylethyl) at the para position, contributing to its hydrophobic characteristics. This substitution can influence the compound's solubility, stability, and reactivity. The presence of the nitrogen atom in the pyrrolidine ring imparts basicity and potential nucleophilicity, making it relevant in various chemical reactions and applications. The compound may exhibit interesting biological activities due to its structural features, which can interact with biological targets. Its synthesis typically involves multi-step organic reactions, and it may be used in research settings, particularly in medicinal chemistry or as a building block for more complex molecules. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₄H₂₁N

InChI: InChI=1S/C14H21N/c1-14(2,3)13-6-4-11(5-7-13)12-8-9-15-10-12/h4-7,12,15H,8-10H2,1-3H3

InChI key: InChIKey=NXHBJNLYTKHUTM-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=CC=C(C=C1)C2CCNC2

Synonyms:

• 3-(4-tert-Butylphenyl)pyrrolidine
• Pyrrolidine, 3-[4-(1,1-dimethylethyl)phenyl]-
• 3-[4-(1,1-Dimethylethyl)phenyl]pyrrolidine