200195-15-9

Basic information

• Product Name: 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE
• Synonyms: 2-(5-oxocyclohex-2-en-1-yl)-2H-oxazine-6-carbaldehyde;3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde;3-keto-4H-1,4-benzoxazine-6-carbaldehyde;3-oxo-4H-1,4-benzoxazine-6-carbaldehyde;3-oxo-4H-1,4-benzoxazine-6-carboxaldehyde;2H-1,4-Benzoxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-
• CAS NO: 200195-15-9
• Molecular Formula: C₉H₇NO₃
• Molecular Weight: 177.16
• Mol File: 200195-15-9.mol

Chemical Properties

• Melting Point: 219-221 °C
• Boiling Point: 408.8°Cat760mmHg
• Flash Point: 201.1°C
• Appearance: /
• Density: 1.347g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.611
• Storage Temp.: 2-8°C
• PKA: 12.13±0.20(Predicted)
• CAS DataBase Reference: 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE(200195-15-9)
• EPA Substance Registry System: 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE(200195-15-9)

Safety Data

• Hazardous Substances Data: 200195-15-9(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE is used as an intermediate in organic synthesis for the preparation of various organic compounds due to its unique structure and reactivity.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE is used as a building block for the development of new pharmaceutical compounds, leveraging its chemical properties to create innovative medications.
Used in Agrochemical Industry:
3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE is utilized in the agrochemical industry as a component in the synthesis of agrochemical products, contributing to the development of new pesticides or other agricultural chemicals.
Used in Research and Development:
In research and development, 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE serves as a key compound for exploring new chemical reactions and syntheses, further expanding the horizons of chemical knowledge and application.

InChI:InChI=1/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12)

Upstream product

• 615568-17-7 6-hydroxymethyl-4H-benzo[1,4]oxazin-3-one 
• 3011-34-5 4-hydroxy-3-nitrobenzaldehyde 
• 94407-05-3 2-[4-hydroxy-3-nitro-phenyl]-1,3-dioxane 
• 476313-39-0 4-methoxylcarbonylmethoxy-3-nitro-benzaldehyde 
• 897545-07-2 2-Amino-4-[1,3]dioxan-2-yl-phenol 
• 420786-61-4 (4-formyl-2-nitrophenyloxy)acetic acid ethyl ester 

Downstream Products

• 928776-16-3 4-[2-(3-methoxy-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-00-5 4-(3-methyl-benzyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-05-0 4-[2-(4-chloro-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 648449-64-3 4-benzyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-08-3 4-[2-(4-bromo-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928775-96-6 4-(4-tert-butyl-benzyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928775-95-5 4-(4-methyl-benzyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-02-7 3-oxo-4-phenethyl-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-04-9 4-[2-(3,5-dimethoxy-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928775-97-7 4-(4-chloro-benzyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-01-6 4-(3,4-dimethyl-benzyl)-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928775-98-8 4-(6-formyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-ylmethyl)-benzonitrile 
• 928775-99-9 3-oxo-4-(4-trifluoromethyl-benzyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-10-7 4-[2-(3,4-dichloro-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 

Relevant articles and documents

Synthesis and Structure-Activity Relationship of Xenocoumacin 1 and Analogues as Inhibitors of Ribosomal Protein Synthesis

Ribosomal protein synthesis is an important target in antibacterial drug discovery. Numerous natural products have served as starting points for the development of antibiotics. We report here the total synthesis of xenocoumacin 1, a natural product that binds to 16S ribosomal RNA at a highly conserved region, as well as analogues thereof. Preliminary structure–activity relationship studies were aimed at understanding and modulating the selectivity between eukaryotic and prokaryotic ribosomes. Modifications were mainly tolerated in the aromatic region. Whole-cell activity against Gram-negative bacteria is limited by efflux and penetration, as demonstrated in genetically modified strains of E. coli. Analogues with high selectivity for eukaryotic ribosomes were identified, but it was not possible to obtain inhibitors selective for bacterial protein synthesis. Achieving high selectivity (albeit not the desired one) was thus possible despite the high homology between eukaryotic and prokaryotic ribosomes in the binding region.

ANTI-FIBROTIC COMPOUNDS

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INHIBITORS OF DNA GYRASE FOR THE TREATMENT OF BACTERIAL INFECTIONS

The present invention relates to compounds which specifically inhibit bacterial DNA Gyrase and can be used for the treatment of respiratory tract infections.

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Structure based drug design of a series of novel 1,4-benzoxazin-3-one derived PARP-1 inhibitors are described. The synthesis, enzymatic & cellular activities and pharmacodynamic effects are described. Optimized analogs demonstrated inhibition of poly-ADP-ribosylation in SW620 tumor bearing nude mice through 24 h following a single dose.

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Compounds of the following formula are provided for use in inhibiting Poly (ADP-ribose) Polymerase (PARP): wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds,

5-Quinoline derivatives having an anti-bacterial activity

The present invention describes novel anti-bacterial compounds of the formula (I). These compounds are, amongst others, of interest as inhibitors of DNA gyrase and topoisomerases, for example of topoisomerase II and IV.

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NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS

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