Supporting Information Noncatalytic Conversion of C-F Bonds of Benzotrifluorides to C-C Bonds Using Organoaluminum Reagents
نویسندگان
چکیده
General H NMR and C NMR spectra were recorded with a JEOL JNM-Alice 400 spectrometer (400 MHz and 100 MHz, respectively). Chemical shifts are given in parts per million (δ) downfield from internal tetramethylsilane. Infrared spectra were obtained with a Perkin-Elmer FT-IR (Model 1600). Both conventional and high resolution mass spectra were recorded with a JEOL JMS-DX303HF spectrometer. GC Mass analyses (EI) were run using a JEOL JMS-mate operating in the electron impact mode (70 eV) equipped with a RTX-5 30MX.25MMX.25U column. Elemental analyses were performed on a Perkin Elmer 240C apparatus.
منابع مشابه
Pseudo-Five-Component Condensation for the Diversity-Oriented Synthesis of Novel Indoles and Quinolines Containing Pseudo-Peptides (Tricarboxamides)
A novel series of indole and quinoline tricarboxamides were synthesized using simple and efficient one-pot pseudo-five-component reactions of 2-formylindole or 2-chloro-3-formyl quinolines, isocyanides, amines, and Meldrum’s acid as a CH-acid in CH2Cl2 at room temperature. This conversion has been achieved via the construction of new bonds including two C-C bonds, two ...
متن کاملThe electron density analysis of Cr(CO)3L complexes (L=benzene and graphyne)
h6-benzne, h6-garphyne) was studied with MPW1PW91 quantum chemical computations. Quantumtheory of atoms in molecules (QTAIM) was applied to elucidate these complexes Cr-CO bonds. Theellipticity (e) and h values of the Cr-CO bonds were calculated. The amount of pp-dp back-donation ofCr-CO bonds were illustrated by calculation of the magnitude of the quadrupole polarization of c...
متن کاملH2 Elimination and C-C Bond Cleavage of Propene: A Theoretical Research
Propene dissociation channels were characterized by ab initio CCSD(T)/6-311++g(d,p) calculations. Inthis work the detailed mechanism of propene dissociation to C2H4+CH2, C2H2+H+CH3, C2H2+CH4 andC3H3+H2+H have been investigated. According to our calculations, ten fragments can be classified intofive dissociated channels. Our results point out that two mechanisms come into play in the H2 eliminat...
متن کاملMechanistic prospective for human PrPC conversion to PrPSc: Molecular dynamic insights
PrPC conversion to PrPSc isoform is the main known cause for prion diseases including Crutzfeldt-Jakob, Gerstmann-Sträussler-Sheinker syndrome and fatal familial insomnia in human. The precise mechanism underling this conversion is yet to be well understood. In the present work, using the coordinate file of PrPC (available on the Protein Data Bank) as a starting structure, separate molecular d...
متن کاملStructural Mechanics Approach to Investigate the Hyperelastic Mechanical Behavior of Single and Multi-wall Carbon Nanotubes
In the current research, a three-dimensional finite element model was considered to predict the mechanical behavior of Single Wall (SWCNTs) and Multi Wall Carbon Nanotubes (MWCNTs). Assuming the nonlinear elastic behavior of C-C bond in large strains, hyperelastic models were considered. Literature review revealed that the material parameters of the hyperelastic models have been determined from...
متن کامل