CAS 857272-03-8

6-(Hydroxymethyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one

Description:

6-(Hydroxymethyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one, with the CAS number 857272-03-8, is a chemical compound that belongs to the class of benzoxazines, which are characterized by a fused benzene and oxazine ring structure. This compound features a hydroxymethyl group and a methoxypropyl substituent, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents due to the presence of polar functional groups. The hydroxymethyl group can participate in hydrogen bonding, potentially influencing its reactivity and interactions with other molecules. Benzoxazines are often studied for their potential applications in materials science, particularly in the development of thermosetting resins and coatings due to their thermal stability and mechanical properties. Additionally, the presence of methoxy and hydroxymethyl groups may impart specific biological activities, making this compound of interest in medicinal chemistry. However, detailed studies on its biological effects and applications would be necessary to fully understand its potential uses.

Formula: C₁₃H₁₇NO₄

InChI: InChI=1S/C13H17NO4/c1-17-6-2-5-14-11-7-10(8-15)3-4-12(11)18-9-13(14)16/h3-4,7,15H,2,5-6,8-9H2,1H3

InChI key: InChIKey=BJRYIEKWPBLDIF-UHFFFAOYSA-N

SMILES: C(CCOC)N1C=2C(=CC=C(CO)C2)OCC1=O

Synonyms:

• 6-Hydroxymethyl-4-(3-methoxypropyl)-4H-benzo[1,4]oxazin-3-one
• 2H-1,4-Benzoxazin-3(4H)-one, 6-(hydroxymethyl)-4-(3-methoxypropyl)-
• 6-(Hydroxymethyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one