CAS 1219948-65-8

3-[2-Bromo-4-(1,1-dimethylethyl)phenoxy]azetidine

Description:

3-[2-Bromo-4-(1,1-dimethylethyl)phenoxy]azetidine is a chemical compound characterized by its azetidine ring, which is a four-membered saturated heterocycle containing one nitrogen atom. The presence of a phenoxy group, specifically a 2-bromo-4-(1,1-dimethylethyl)phenyl moiety, contributes to its unique reactivity and potential biological activity. The bromine substituent can enhance the compound's lipophilicity and influence its interaction with biological targets. The bulky tert-butyl group (1,1-dimethylethyl) attached to the phenyl ring may also affect steric hindrance and overall molecular conformation. This compound may exhibit properties relevant to medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can interact with various biological pathways. Its specific applications and behavior would depend on further studies, including its solubility, stability, and reactivity under different conditions. As with many organic compounds, safety and handling precautions should be observed, especially considering the presence of the bromine atom, which can pose environmental and health risks.

Formula: C₁₃H₁₈BrNO

InChI: InChI=1S/C13H18BrNO/c1-13(2,3)9-4-5-12(11(14)6-9)16-10-7-15-8-10/h4-6,10,15H,7-8H2,1-3H3

InChI key: InChIKey=VNKHGWVEQKDQTD-UHFFFAOYSA-N

SMILES: O(C1=C(Br)C=C(C(C)(C)C)C=C1)C2CNC2

Synonyms:

• 3-[2-Bromo-4-(1,1-dimethylethyl)phenoxy]azetidine
• Azetidine, 3-[2-bromo-4-(1,1-dimethylethyl)phenoxy]-