CAS 1220027-45-1

3-[4-(1,1-Dimethylethyl)-2-methylphenoxy]azetidine

Description:

3-[4-(1,1-Dimethylethyl)-2-methylphenoxy]azetidine, identified by its CAS number 1220027-45-1, is a chemical compound characterized by its azetidine ring structure, which is a four-membered saturated heterocycle containing one nitrogen atom. This compound features a phenoxy group, specifically a 2-methylphenol derivative, which is substituted with a tert-butyl group (1,1-dimethylethyl) at the para position. The presence of these functional groups contributes to its unique chemical properties, including potential hydrophobicity due to the bulky tert-butyl group and the aromatic character from the phenoxy moiety. The azetidine ring may impart certain reactivity patterns typical of cyclic amines, such as nucleophilicity. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its structural features that could influence biological activity or polymer properties. However, specific applications and biological effects would require further investigation and characterization through empirical studies.

Formula: C₁₄H₂₁NO

InChI: InChI=1S/C14H21NO/c1-10-7-11(14(2,3)4)5-6-13(10)16-12-8-15-9-12/h5-7,12,15H,8-9H2,1-4H3

InChI key: InChIKey=ZUADZTMYFYEQHK-UHFFFAOYSA-N

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

Synonyms:

• 3-[4-(1,1-Dimethylethyl)-2-methylphenoxy]azetidine
• Azetidine, 3-[4-(1,1-dimethylethyl)-2-methylphenoxy]-