CAS 1219967-74-4

Pyrrolidine, 3-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-, hydrochloride (1:1)

Description:

Pyrrolidine, 3-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-, hydrochloride (1:1) is a chemical compound characterized by its pyrrolidine core, which is a five-membered saturated heterocyclic amine. The presence of a bromo substituent and a bulky tert-butyl group on the phenoxy moiety contributes to its unique chemical properties. This compound is typically encountered as a hydrochloride salt, which enhances its solubility in polar solvents, making it suitable for various applications in organic synthesis and medicinal chemistry. The structure suggests potential biological activity, possibly influencing receptor interactions or enzyme inhibition due to the presence of the phenoxy group. As with many halogenated compounds, it may exhibit specific reactivity patterns, including nucleophilic substitution or electrophilic aromatic substitution. Safety and handling precautions are essential, as the compound may pose health risks, including irritation or toxicity. Proper characterization through techniques such as NMR, IR spectroscopy, and mass spectrometry is crucial for confirming its identity and purity in research and industrial applications.

Formula: C₁₄H₂₀BrNO·ClH

InChI: InChI=1S/C14H20BrNO.ClH/c1-14(2,3)10-4-5-13(12(15)8-10)17-11-6-7-16-9-11;/h4-5,8,11,16H,6-7,9H2,1-3H3;1H

InChI key: InChIKey=ZUMYPLJJUXXOIC-UHFFFAOYSA-N

SMILES: O(C1=C(Br)C=C(C(C)(C)C)C=C1)C2CCNC2.Cl

Synonyms:

• Pyrrolidine, 3-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-, hydrochloride (1:1)