ChemInform Abstract: Anthelmintic Compounds. Part 3. Synthesis and 13C-NMR Spectroscopic Properties of (Fluoro- and Iodoanilino)ethenetricarbonitriles (III).

ChemInform ◽  
1987 ◽  
Vol 18 (36) ◽  
Author(s):  
A. KREUTZBERGER ◽  
S. DAUS
Keyword(s):  
13C Nmr ◽  
Spectroscopic Properties

scholarly journals Titanocene Selenide Sulfides Revisited: Formation, Stabilities, and NMR Spectroscopic Properties

Molecules ◽  
2019 ◽  
Vol 24 (2) ◽  
pp. 319 ◽  
Author(s):  
Heli Laasonen ◽  
Johanna Ikäheimonen ◽  
Mikko Suomela ◽  
J. Mikko Rautiainen ◽  
Risto S. Laitinen
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
13C Nmr Spectroscopy ◽  
Spectroscopic Properties ◽  
Titanocene Dichloride ◽  
Enthalpies Of Formation ◽  
Spin Orbit Coupling ◽  
13C Nmr Spectra ◽  
Structure Determinations

[TiCp2S5] (phase A), [TiCp2Se5] (phase F), and five solid solutions of mixed titanocene selenide sulfides [TiCp2SexS5−x] (Cp = C5H5−) with the initial Se:S ranging from 1:4 to 4:1 (phases B–E) were prepared by reduction of elemental sulfur or selenium or their mixtures by lithium triethylhydridoborate in thf followed by the treatment with titanocene dichloride [TiCp2Cl2]. Their 77Se and 13C NMR spectra were recorded from the CS2 solution. The definite assignment of the 77Se NMR spectra was based on the PBE0/def2-TZVPP calculations of the 77Se chemical shifts and is supported by 13C NMR spectra of the samples. The following complexes in varying ratios were identified in the CS2 solutions of the phases B–E: [TiCp2Se5] (51), [TiCp2Se4S] (41), [TiCp2Se3S2] (31), [TiCp2SSe3S] (36), [TiCp2SSe2S2] (25), [TiCp2SSeS3] (12), and [TiCp2S5] (01). The disorder scheme in the chalcogen atom positions of the phases B–E observed upon crystal structure determinations is consistent with the spectral assignment. The enthalpies of formation calculated for all twenty [TiCp2SexS5−x] (x = 0–5) at DLPNO-CCSD(T)/CBS level including corrections for core-valence correlation and scalar relativistic, as well as spin-orbit coupling contributions indicated that within a given chemical composition, the isomers of most favourable enthalpy of formation were those, which were observed by 77Se and 13C NMR spectroscopy.

scholarly journals Aromatic Amines in Organic Synthesis. Part II. p-Aminocinnamaldehydes

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4360
Author(s):  
Marek Pietrzak ◽  
Beata Jędrzejewska
Keyword(s):  
Organic Synthesis ◽  
13C Nmr ◽  
Aromatic Amines ◽  
Chemical Structure ◽  
Spectroscopic Properties ◽  
Spectroscopic Methods ◽  
Amino Group ◽  
The One ◽  
Ir Spectroscopic ◽  
Derivatives Of

Ten derivatives of p-aminocinnamic aldehydes were prepared from the reaction of either aromatic amines with dimethylaminoacrolein or benzaldehydes with acetaldehyde. Their chemical structure and purity were verified by 1H NMR, 13C NMR and IR spectroscopic methods. We found that the synthesis applying dimethylaminoacrolein as the reagent gets better yields than the one based on the reaction with acetaldehyde. The yields of the cinnamic aldehydes varied according to the type of the amino group and the number and position of the substituents. The basic spectroscopic properties of the p-aminocinnamic aldehydes are also described since the compounds may be a precursor for the synthesis of dyes for diverse applications, e.g., in medicine and optoelectronics.

Synthesis of amidoalkyl naphthols in PEG-400 as a green and efficient solvent and theoretical study of their spectroscopic properties

2021 ◽  
Vol 18 ◽  
Author(s):  
Marjan Rezaeipour ◽  
Ahmad Momeni Tikdari ◽  
Hojatollah Khabazzadeh ◽  
Vahid Saheb
Keyword(s):  
13C Nmr ◽  
Density Functional ◽  
Chemical Shifts ◽  
Aromatic Aldehydes ◽  
Spectroscopic Properties ◽  
Peg 400 ◽  
Amidoalkyl Naphthols ◽  
Normal Vibrational Modes ◽  
Ft Ir ◽  
Benzamide Derivatives

: An effectual synthesis of amidoalkyl naphthols from the multicomponent reaction of 2-naphthol, aromatic aldehydes, and benzamide derivatives using PEG-400 as an environmentally friendly solvent is described. The main advantage of this protocol is that low reactive benzamide derivatives such as 4-nitro benzamide can react effectively. Also, the molecular structure, IR, and 13C NMR spectra of the synthesized compounds are also investigated theoretically. Density functional theory (DFT) calculations at the B3LYP level of theory are carried out to locate optimized geometries and calculate normal vibrational modes and 13C NMR chemical shifts. These calculations enable us to assign the observed FT-IR and 13C NMR peaks to the corresponding vibrational motions and 13C atoms, respectively.

scholarly journals Synthesis and a study of the 13C NMR spectroscopic properties of positional isomers of some C18 acetylenic thia fatty esters

ARKIVOC ◽  
2002 ◽  
Vol 2002 (3) ◽  
pp. 188-197
Author(s):  
Marcel S.F. Lie Ken Jie ◽  
Oladapo Bakare ◽  
Maureen M.L. Lau
Keyword(s):  
13C Nmr ◽  
Spectroscopic Properties ◽  
Positional Isomers ◽  
Fatty Esters

scholarly journals Synthesis and Spectroscopic Properties of 2,3-Diphenyl-1,3-thiaza-4-one Heterocycles

2015 ◽  
Vol 7 (2) ◽  
pp. 150 ◽  
Author(s):  
Lee Silverberg ◽  
Carlos Pacheco ◽  
Anthony Lagalante ◽  
Kevin Cannon ◽  
Joshua Bachert ◽  
...  
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Spectroscopic Data ◽  
Spectroscopic Properties ◽  
Ring Size

Synthetic and spectroscopic data (1H NMR, 13C NMR, IR, UV/Vis) for a series of six 2,3-diphenyl-1,3-thiaza-4-one heterocycles which differ in ring size and substitution is reported. The results show that there are significant differences in spectroscopic signals common to all six compounds. Distinctions can be made among the compounds using the IR absorbance of the C4 carbonyl and the 1H NMR signal at C2, and to a lesser extent the 13C NMR signal at C4 and the UV/Vis spectrum.{The equation can be found in the PDF file}.

Sign in / Sign up

Export Citation Format

Share Document