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3-(ETHOXYCARBONYL)-2-METHYLQUINOXALIN-1-IUM-1-OLATE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

94098-94-9

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94098-94-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 94098-94-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,0,9 and 8 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 94098-94:
(7*9)+(6*4)+(5*0)+(4*9)+(3*8)+(2*9)+(1*4)=169
169 % 10 = 9
So 94098-94-9 is a valid CAS Registry Number.
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

94098-94-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate

1.2 Other means of identification

Product number -
Other names 3-Methyl-4-oxy-chinoxalin-2-carbonsaeure-aethylester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:94098-94-9 SDS

94098-94-9Downstream Products

94098-94-9Relevant academic research and scientific papers

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

Bartoszek, M.,Salzwedel, D.,Stumm, G.,Niclas, H.-J.

, p. 259 - 268 (1987)

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.

Tandem C-N Bond Formation through Condensation and Metal-Free N-Arylation: Protocol for Synthesizing Diverse Functionalized Quinoxalines

Jiao, Yan-Xiao,Wu, Ling-Ling,Zhu, Hai-Miao,Qin, Jiang-Ke,Pan, Cheng-Xue,Mo, Dong-Liang,Su, Gui-Fa

, p. 4407 - 4414 (2017/04/28)

Diverse functionalized quinoxalines were synthesized in good yields from arylamines and readily available β-keto oximes through condensation and metal-free N-arylation. The reaction was compatible with various functional groups, such as halides, cyano, and esters. A mechanism was proposed based on the experimental results. These quinoxalines were easily obtained on a gram scale and converted to various useful scaffolds. Compound LASSBio-1022 was prepared in 83% yield in two steps.

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

Gomes, Jose R. B.,Monteiro, Andre R.,Campos, Bruno B.,Gomes, Paula,Ribeiro Da Silva, Maria D. M. C.

experimental part, p. 17 - 23 (2009/07/26)

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

Synthesis of the possible metabolites of quinocetone in animals

Li, Jian-Yong,Zhang, Ji-Yu,Zhou, Xu-Zheng,Li, Jin-Shan,Lu, Run-Hua

, p. 49 - 56 (2008/02/12)

The possible metabolites of quinocetone in animals had been prepared with different selective reagent by three synthetic routes. It was their principal reaction that Na2S2O4 reduced quinoxaline-1,4-dioxide derivatives to quinoxaline derivatives, H 2O2 s oxidized 2-carboxyl-quinoxaline derivatives to 2-carboxyl-quinoxaline-1 -oxide ones and P(OCH3) 3 reduced 2-carboxyl- quinoxaline-1,4-dioxide derivatives to 3-carboxyl-quinoxaline-1-oxide ones. The title compounds ware confirmed with NMR,UV, FAB-MS, et al.

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