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
• Article Data: 12

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

General Description

3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE is a chemical compound with a complex molecular structure. It belongs to the oxazine class of compounds and contains a carbonyl group. It is commonly used in organic synthesis as an intermediate for the preparation of various organic compounds. 3-OXO-3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE-6-CARBALDEHYDE has potential applications in the pharmaceutical and agrochemical industries, and it is also used in research and development. Its unique structure and reactivity make it a valuable building block for the synthesis of a wide range of chemical compounds.

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

Downstream Products

• 928776-16-3 4-[2-(3-methoxy-phenyl)-ethyl]-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbaldehyde 
• 928776-06-1 4-[2-(4-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 
• 928776-09-4 4-[2-(3-chloro-phenyl)-ethyl]-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 

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.

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.

POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS

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,