6-Chloro-(2H)-1,4-benzoxazine-3(4H)-one

CAS: 7652-29-1

Ref. 3D-FC53827

Product Information

• Name: 6-Chloro-(2H)-1,4-benzoxazine-3(4H)-one
• Synonyms: 6-Chloro-2H-benzo[b][1,4]oxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-, 6-chloro-2H-benzo[b][1,4]oxazin-3(4H)-one

Description

6-Chloro-(2H)-1,4-benzoxazine-3(4H)-one is a heterocyclic compound that belongs to the class of six-membered heterocycles. It is an intermediate in the synthesis of 2-phenoxyacetamide. This compound has been shown to cyclize with acetyl chloride in the presence of hydrogen chloride. The cyclization of 6-chloro-(2H)-1,4-benzoxazine-3(4H)-one can be described as an intramolecular reaction because it requires only one molecule of 6-chloro-(2H)-1,4-benzoxazine-3(4H)-one and no external reagents. The conformation of this compound has been determined by using NMR spectroscopy and X-ray crystallography. This conformation was found to have hydrogen bonds between the phenoxyacetamide group and the ring carbonyl groups.

• Brand: Biosynth

Chemical properties

• Molecular weight: 183.59 g/mol
• Formula: C₈H₆ClNO₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
• InChI key: InChIKey=OBPIPKQQNRACHV-UHFFFAOYSA-N
• SMILES: O=C1COc2ccc(Cl)cc2N1