CAS 1146960-47-5

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

Description:

3-[4-Bromo-2-(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 4-bromo-2-(1,1-dimethylethyl)phenyl moiety, contributes to its structural complexity and potential reactivity. The bromine substituent on the aromatic ring enhances the compound's electrophilic character, while the bulky tert-butyl group (1,1-dimethylethyl) may influence steric hindrance and solubility properties. This compound may exhibit interesting biological activities due to its unique structure, making it a candidate for further research in medicinal chemistry. Its CAS number, 1146960-47-5, allows for precise identification in chemical databases and literature. As with many organic compounds, its physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and should be determined experimentally for practical applications.

Formula: C₁₃H₁₈BrNO

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

InChI key: InChIKey=ZHIPZUXHUQQZNP-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=C(OC2CNC2)C=CC(Br)=C1

Synonyms:

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