Malononitrile

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Jingen Deng - One of the best experts on this subject based on the ideXlab platform.

Jean-claude Guillemin - One of the best experts on this subject based on the ideXlab platform.

  • Rotational spectroscopy of Malononitrile and its corresponding monoisocyanide isomer, isocyanoacetonitrile
    Astronomy & Astrophysics, 2019
    Co-Authors: Roman A. Motiyenko, I. Armieieva, Laurent Margulès, Eugene A. Alekseev, Jean-claude Guillemin
    Abstract:

    Context. Nitriles constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds may be partially explained by the lack of accurate spectroscopic data on their rotational spectra.Aims. Two small seven-atom dinitriles, Malononitrile NCCH2CN and isocyanoacetonitrile NCCH2NC, were chosen as target species for this study. For Malononitrile the goal of the study is to systematize all the previous measurements, and to extend the measurements to the sub-millimeter wavelength range. The spectrum of isocyanoacetonitrile has not been studied before.Methods. The rotational spectra of the two molecules were measured in the frequency range 150–660 GHz using the Lille fast-scan spectrometer. The spectroscopic study was supported by high-level theoretical calculations on the structure of these molecules and their harmonic force field.Results. Accurate frequency predictions for Malononitrile and isocyanoacetonitrile were calculated on the basis of the analysis of their rotational spectra. The influence of the spin statistics on the intensities of the lines of Malononitrile was taken into account. The provided line lists and sets of molecular parameters meet the needs of astrophysical searches for the two molecules.

Darshak R. Trivedi - One of the best experts on this subject based on the ideXlab platform.

  • Condensation of Malononitrile with salicylaldehydes and o-aminobenzaldehydes revisited: solvent and catalyst free synthesis of 4H-chromenes and quinolines
    RSC Advances, 2012
    Co-Authors: Subrahmanya Ishwar Bhat, Angshuman Roy Choudhury, Darshak R. Trivedi
    Abstract:

    The reaction of Malononitrile with salicylaldehyde under solvent and catalyst free conditions was re-investigated using mechanochemical mixing, thermal heating and a direct crystallization process. The resulting condensation product by all three types of molecular activation, was found to be (2-amino-3-cyano-4H-chromene-4-yl)Malononitrile, which is not the previously reported benzofuran-2-carbonitrile. The structure of the resulting chromene derivative was confirmed by FT-IR, MS, 1H, 13C NMR and single crystal and powder X-ray diffraction. The reaction pathway under neat conditions (mechanochemical mixing) at ambient temperature was monitored by IR spectral measurements. The versatility of the current green protocol was examined through the reaction of eleven derivatives of o-hydroxybenzaldehyde with Malononitrile to obtain 2-amino-3-cyano-4H-chromene derivatives. In addition, Malononitrile was further reacted with o-aminobenzaldehydes under neat conditions to yield quinoline derivatives.

M. Fernanda R. P. Proença - One of the best experts on this subject based on the ideXlab platform.

  • The condensation of salicylaldehydes and Malononitrile revisited: synthesis of new dimeric chromene derivatives.
    The Journal of organic chemistry, 2008
    Co-Authors: Marta Costa, Filipe Areias, Luís Abrunhosa, Armando Venâncio, M. Fernanda R. P. Proença
    Abstract:

    The reaction of salicylic aldehydes with Malononitrile was reinvestigated, and the reaction pathway was followed by 1H NMR spectroscopy. A delicate control of the experimental conditions allowed the synthesis of 2-imino-2H-chromene-3-carbonitriles 1, (2-amino-3-cyano-4H-chromen-4-yl)Malononitriles 2, 4-amino-5-imino-2,7-dimethoxy-5H-chromeno[3,4-c]pyridine-1-carbonitrile 12, and (4,5-diamino-1-cyano-1,10b-dihydro-2H-chromeno[3,4-c]pyridin-2-ylidene)Malononitrile 13. Two novel 2-iminochromene dimers, with structures 8 and 9, were isolated and fully characterized. The activity of compound 8a on Aspergillus spp. growth and on ochratoxin A production was evaluated. The results of the bioassays indicate that compound 8a, applied at concentrations of 2 mM, totally inhibited the growth of the fungi tested. Ochratoxin A production by Aspergillus alliaceus was reduced by about 93% with a 200 μM solution of this compound. A moderate inhibitory effect was observed for the analogous structure 8b, and no inhibition wa...

Zhikui Xing - One of the best experts on this subject based on the ideXlab platform.