Structural investigation, Hirshfeld surface analysis and quantum mechanical study of two dicyanopyridine derivatives
Two dicyanopyridine derivatived compounds (I) (C14H10N4) and (II) (C15H16N4) were synthesized with high yields from each reaction of benzylidene malononitrile with dichloride zinc directly in methanol or ethanol solvent. Both the compounds were characterized by NMR, IR, ESI, elemental analysis and single-crystal X-ray diffraction techniques. Investigation of intermolecular interaction via Hirshfeld surface analysis indicates that these close contacts are mainly ascribed to N[sbnd]H???N hydrogen bonding. Frontier molecular orbital and natural bond orbital (NBO) analysis shows that compound (I) and (II) possess a relatively higher kinetic stability. As a general type of catalyst, the reactive activity in the reaction of benzophenone-imine cyanosilylation was carried out to give a better performance with high yields of 80.0% and 86.0% for (I) and (II) respectively.
Potassium tert -Butoxide Mediated Arylation of 2-Substituted Malononitriles Using Diaryliodonium Salts
Direct arylation of 2-substituted malononitriles using diaryliodonium salts without involving transition-metal catalysts was developed. By using potassium tert -butoxide as a promoter, the desired 2-substituated α-arylmalononitriles derivatives were synthesized in good to excellent yields of 55-96%. This synthetic method provided an efficient way to prepare a variety of 2-substituted arylmalononitriles which were useful in agrochemicals.
Han, Jianwei,Qian, Xiaofei,Xu, Bowen,Wang, Limin
supporting information
p. 2139 - 2142
(2017/09/26)
Straightforward construction of diarylmethane skeletons via aryne insertion into carbon-carbon σ-bonds
Two molar amounts of arynes were found to couple with nitriles via carbon-carbon σ-bond cleavage, assembling diverse diarylmethane skeletons in a straightforward manner. The Royal Society of Chemistry.
Titanium(IV) Chloride Catalyzed Cyanation of Benzylic Halides With Trimethylsilyl Cyanide
Six sterically hindered benzylic chlorides have been substituted with cyano groups in excellent yields with trimethylsilyl cyanide and titanium tetrachloride in methylene chloride.Both monochloro substrates such as diphenylmethyl chloride and triphenylmethyl chloride and dichloro substrates such as dichlorodiphenylmethane and sym-tetraphenylethylene dichloride were studied.Because isonitriles are plausible reaction intermediates, the isomerization of trityl isonitrile by TiCl4 and by trityl tetrafluoroborate was studied at 0 and -78 deg C.Both reagents catalyze conversion to triphenylacetonitrile at 0 deg C while only trityl tetrafluoroborate is effective at -78 deg C.It was also found that trityl tetrafluoroborate reacts with trimethylsilyl cyanide in the absence of TiCl4 to give triphenylacetonitrile in 96percent yield.
Zieger, Herman E.,Wo, Shiming
p. 3838 - 3840
(2007/10/02)
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