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CAS 1206970-38-8

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1,1-Dimethylethyl 3,4-dihydro-3-oxo-2H-1,4-benzoxazine-7-carboxylate

Description:
1,1-Dimethylethyl 3,4-dihydro-3-oxo-2H-1,4-benzoxazine-7-carboxylate, identified by its CAS number 1206970-38-8, is a chemical compound that belongs to the class of benzoxazines, which are characterized by their fused benzene and oxazine rings. This compound features a carboxylate functional group, contributing to its potential reactivity and solubility in various solvents. The presence of the dimethyl group indicates steric hindrance, which may influence its chemical behavior and interactions with other molecules. Typically, benzoxazines exhibit interesting properties such as thermal stability and the ability to undergo polymerization, making them valuable in materials science and organic synthesis. The specific structure of this compound suggests potential applications in pharmaceuticals or as intermediates in organic reactions. However, detailed studies on its biological activity, toxicity, and environmental impact would be necessary to fully understand its characteristics and potential uses.
Formula:C13H15NO4
InChI:InChI=1S/C13H15NO4/c1-13(2,3)18-12(16)8-4-5-9-10(6-8)17-7-11(15)14-9/h4-6H,7H2,1-3H3,(H,14,15)
InChI key:InChIKey=ALDOHFCTUFQJKY-UHFFFAOYSA-N
SMILES:C(OC(C)(C)C)(=O)C=1C=C2C(=CC1)NC(=O)CO2
Synonyms:
  • 2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-3-oxo-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 3,4-dihydro-3-oxo-2H-1,4-benzoxazine-7-carboxylate
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