94098-94-9

Basic information

• Product Name: 3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE
• Synonyms: 3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE;ETHYL 2-METHYLQUINOXALINE-3-CARBOXYLATE-1-OXIDE
• CAS NO: 94098-94-9
• Molecular Formula: C12H12N2O3
• Molecular Weight: 232.24
• Mol File: 94098-94-9.mol
• Article Data: 5

Chemical Properties

• Melting Point: 91 °C
• Boiling Point: 404.3°Cat760mmHg
• Flash Point: 198.3°C
• Appearance: /
• Density: 1.26g/cm³
• Vapor Pressure: 9.52E-07mmHg at 25°C
• Refractive Index: 1.596
• CAS DataBase Reference: 3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE(94098-94-9)
• EPA Substance Registry System: 3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE(94098-94-9)

Safety Data

• Hazardous Substances Data: 94098-94-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12N2O3/c1-3-17-12(15)11-8(2)14(16)10-7-5-4-6-9(10)13-11/h4-7H,3H2,1-2H3

Upstream product

• 13297-18-2 2-ethoxycarbonyl-3-methylquinoxaline 1,4-dioxide 
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Relevant articles and documents

OH. Loss and Molecular Rearrangements of Quinoxaline N-Oxides Studied by Interpretation of Mass Spectra and Application of Linear Discriminant Analysis

Quinoxaline N-oxides substituted at the ortho position to the NO group give characteristic + fragments.With the di-N-oxides the peak intensities depend on the electron-withdrawing strength of the 2- and 3-substituents.Linear discriminant analysis was used to study the fragmentation of quinoxaline N-oxides as determined by the number of NO groups.Results of peak selection and discriminant analysis (Fisher quotients and discriminant vector coefficients) were interpreted with regard to the mass spectrometric decomposition of quinoxaline and quinoxaline N-oxide molecules.For the substituted quinoxaline N-oxides, fragmentations involving molecular rearrangements like those observed for unsubstituted quinoxaline N-oxides were also found.For these compounds, partial rearrangement to quinoxalines is confirmed.

The enthalpies of dissociation of the N-O bonds in two quinoxaline derivatives

The present work reports the first experimental thermochemical study of mono-N-oxides derived from quinoxaline, namely, 3-methoxycarbonyl-2-methyl- quinoxaline N-oxide and 3-ethoxycarbonyl-2-methyI-quinoxaIine N-oxide. The values of the enthalpies of formation, in the condensed state, and of the enthalpies of sublimation, derived from static bomb calorimetry and Calvet microcalorimetry measurements, respectively, are combined to derive the standard molar enthalpies of formation in the gaseous phase for these two compounds. From the latter values, the first and second N-O bond dissociation enthalpies for the corresponding di-N-oxides have been obtained. The gas-phase experimental results are also compared with calculated data obtained with a density functional theory approach. Copyright

Eine einfache Methode zur regioselektiven Reduktion von carbonylsubstituierten Chinoxalin-1,4-dioxiden

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