Extracurricular laboratory: Synthetic route of 17190-29-3

There is still a lot of research devoted to this compound(SMILES：N#CCC(O)C1=CC=CC=C1)Application In Synthesis of 3-Hydroxy-3-phenylpropanenitrile, and with the development of science, more effects of this compound(17190-29-3) can be discovered.

Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 3-Hydroxy-3-phenylpropanenitrile, is researched, Molecular C9H9NO, CAS is 17190-29-3, about Rational design of pincer-nickel complexes for catalytic cyanomethylation of benzaldehyde: A systematic DFT study.Application In Synthesis of 3-Hydroxy-3-phenylpropanenitrile.

The current study dwells upon the efforts to computationally probe a phosphine-free pincer-nickel complex that would demonstrate an efficiency better than the reported phosphine-based pincer-nickel complex (iPr2POCNEt2)Ni(CH2CN) for cyanomethylation reaction. For this purpose, the mechanism of cyanomethylation of benzaldehyde was studied quantum mech. for a series of 11 pincer-nickel complexes. The energetics of various intermediates and transition states involved in the catalytic cycle for each catalyst was compared with the corresponding energetics of the Miller′s catalyst (iPr2POCNEt2)Ni(CH2CN) that is reported to accomplish the cyanomethylation at room temperature While pincer complexes (iPr4NNN)Ni(CH2CN) and (iPr4NCN)Ni(CH2CN) containing strong σ-donating amines were found to fare poorly, pincer-nickel complexes (iPr2NCN)Ni(CH2CN) and (dmPheboxNCN)Ni(CH2CN) based on weaker σ-donating imines had energetics more favorable than the reported efficient catalyst (iPr2POCNEt2)Ni(CH2CN). While strong trans-influencing C as the pincer central atom was found to be pivotal for lowering the cyanomethylation kinetics, presence of a poor trans-influencing N proved to be detrimental on the overall energetics.

There is still a lot of research devoted to this compound(SMILES：N#CCC(O)C1=CC=CC=C1)Application In Synthesis of 3-Hydroxy-3-phenylpropanenitrile, and with the development of science, more effects of this compound(17190-29-3) can be discovered.

Reference:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics