CAS 1160245-46-4

2,3,4,5-Tetrahydro-7-[[(4-methylphenyl)methoxy]methyl]-1,4-benzoxazepine

Description:

2,3,4,5-Tetrahydro-7-[[(4-methylphenyl)methoxy]methyl]-1,4-benzoxazepine is a chemical compound characterized by its complex structure, which includes a benzoxazepine core. This compound features a tetrahydro configuration, indicating the presence of a saturated cyclic structure, and a methoxy group attached to a phenyl ring, which contributes to its lipophilicity and potential biological activity. The presence of the 4-methylphenyl group suggests that it may exhibit specific interactions with biological targets, potentially influencing its pharmacological properties. The benzoxazepine class is known for its diverse applications, particularly in medicinal chemistry, where such compounds may exhibit neuroactive or anxiolytic effects. The molecular structure implies potential for various substituent interactions, which can affect solubility, stability, and reactivity. As with many organic compounds, the specific characteristics, including melting point, boiling point, and solubility, would depend on the purity and specific conditions under which the compound is studied. Further research would be necessary to fully elucidate its properties and potential applications.

Formula: C₁₈H₂₁NO₂

InChI: InChI=1S/C18H21NO2/c1-14-2-4-15(5-3-14)12-20-13-16-6-7-18-17(10-16)11-19-8-9-21-18/h2-7,10,19H,8-9,11-13H2,1H3

InChI key: InChIKey=DVANSLNENDYHLQ-UHFFFAOYSA-N

SMILES: C(OCC1=CC=C(C)C=C1)C=2C=C3C(=CC2)OCCNC3

Synonyms:

• 1,4-Benzoxazepine, 2,3,4,5-tetrahydro-7-[[(4-methylphenyl)methoxy]methyl]-
• 2,3,4,5-Tetrahydro-7-[[(4-methylphenyl)methoxy]methyl]-1,4-benzoxazepine