CAS 62557-53-3

1-Benzoxepin-3,5(2H,4H)-dione

Description:

1-Benzoxepin-3,5(2H,4H)-dione, with the CAS number 62557-53-3, is a heterocyclic organic compound characterized by its unique bicyclic structure that includes a benzene ring fused to a benzoxepin moiety. This compound features two carbonyl groups at the 3 and 5 positions, contributing to its diketone classification. The presence of these carbonyl functionalities typically imparts reactivity, allowing for various chemical transformations, such as nucleophilic additions or condensation reactions. 1-Benzoxepin-3,5(2H,4H)-dione may exhibit biological activity, making it of interest in medicinal chemistry and drug development. Its structural features suggest potential applications in the synthesis of more complex organic molecules or as intermediates in pharmaceutical formulations. Additionally, the compound's stability, solubility, and reactivity can vary based on environmental conditions, such as pH and temperature. Overall, 1-Benzoxepin-3,5(2H,4H)-dione represents a valuable compound for research in organic synthesis and medicinal applications.

Formula: C₁₀H₈O₃

InChI: InChI=1S/C10H8O3/c11-7-5-9(12)8-3-1-2-4-10(8)13-6-7/h1-4H,5-6H2

InChI key: InChIKey=VXHBBPNYWKGNHL-UHFFFAOYSA-N

SMILES: O=C1C=2C(OCC(=O)C1)=CC=CC2

Synonyms:

• 1-Benzoxepine-3,5-dione
• 1-benzoxepine-3,5(2H,4H)-dione
• 1-Benzoxepin-3,5(2H,4H)-dione

2,3,4,5-Tetrahydro-1-benzoxepine-3,5-dione

CAS: 62557-53-3

2,3,4,5-Tetrahydro-1-benzoxepine-3,5-dione is an intermediate in the synthesis of phenelzine. It is a benzyl derivative that can be synthesized from 2,3,4,5-tetrahydrobenzo[b]thiophene and isopropylmagnesium chloride. This compound has been shown to react with methoxy groups as well as sulfur and alkenyl groups. The reaction with nitro groups leads to the formation of an unstable nitroso compound. The compounds derived from this intermediate have been shown to have significant antibacterial activity against intestinal bacteria such as enterobacteriaceae and coliforms.

Formula: C₁₀H₈O₃

Purity: Min. 95%

Molecular weight: 176.17 g/mol

Ref: 3D-MCA55753