Complete 1 H and 13 C NMR spectral assignment of benzo[d ]isothiazole derivatives and of an isoindole isoster

2008 ◽  
Vol 46 (12) ◽  
pp. 1175-1179 ◽  
Author(s):  
Matteo Incerti ◽  
Domenico Acquotti ◽  
Paola Vicini
Keyword(s):  
Spectral Assignment ◽  
C Nmr

scholarly journals Full 1 H and 13 C NMR spectral assignment of conjugated valerolactone metabolites isolated from urine of black tea consumers by means of SPE-prepLC-MS-LC-MS-NMR

2019 ◽  
Vol 57 (9) ◽  
pp. 548-557
Author(s):  
Niels de Roo ◽  
Sanne M. J. Wilmsen ◽  
Velitchka V. Mihaleva ◽  
Doris M. Jacobs ◽  
John P. M. van Duynhoven
Keyword(s):  
Black Tea ◽  
Spectral Assignment ◽  
C Nmr

scholarly journals 1H and13C NMR spectroscopic studies of half-esters from monohydrolysis of dialkyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylates

2004 ◽  
Vol 18 (3) ◽  
pp. 469-483
Author(s):  
Yoshikazu Hiraga ◽  
Satomi Niwayama
Keyword(s):  
Nmr Spectra ◽  
Chemical Shifts ◽  
2D Nmr ◽  
Spectroscopic Studies ◽  
Carboxyl Group ◽  
1H And13c Nmr ◽  
Nmr Chemical Shifts ◽  
2D Nmr Spectra ◽  
Spectral Assignment ◽  
C Nmr

The structures of the half-esters from the monohydrolysis of (exo,exo)-, (endo,endo)-, and (endo,exo)-dialkyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylates were determined by1H and13C NMR as well as 2D NMR spectra, and the complete spectral assignment has been made. After conversion of one of the carboalkoxy groups to a carboxyl group, different tendencies were observed for the differences in1H and13C NMR chemical shifts between half-esters and the corresponding diesters.

1 H and 13 C NMR spectral assignment of 29 N ′‐(3‐([1,1′‐biphenyl]‐4‐yl)‐1‐phenyl‐1 H ‐pyrazol‐4‐yl)acylhydrazones

2020 ◽  
Vol 59 (6) ◽  
pp. 648-662
Author(s):  
Jihyun Park ◽  
Seunghyun Ahn ◽  
Youngshim Lee ◽  
Dongsoo Koh ◽  
Yoongho Lim
Keyword(s):  
Spectral Assignment ◽  
C Nmr

scholarly journals A revision of the13C NMR spectral assignment of globulol

1999 ◽  
Vol 14 (2) ◽  
pp. 61-66 ◽  
Author(s):  
Masao Toyota ◽  
Masami Tanaka ◽  
Yoshinori Asakawa
Keyword(s):  
Nmr Spectra ◽  
Nmr Spectrum ◽  
Sesquiterpene Alcohol ◽  
Complete Assignment ◽  
Spectral Assignment ◽  
C Nmr

Complete assignment of the13C NMR spectrum of the aromadendrane‒type sesquiterpene alcohol, globulol was reported, however, it still remained to be ambiguous. We report here the unambiguous and complete assignment of the1>H and13C NMR spectra of (+)‒globulol, which was isolated from the liverwortsPlagiochila ovalifolia,Neotrichocolea bissetiiandPallavicinia subciliata

On the cross-sectional shape of the cellulose crystallites in the tunicate Halocynthia papillosa

1990 ◽  
Vol 48 (3) ◽  
pp. 566-567
Author(s):  
J.-F. Revol ◽  
Y. Van Daele ◽  
F. Gaill
Keyword(s):  
Contrast Imaging ◽  
Animal Kingdom ◽  
Bright Field ◽  
Field Mode ◽  
Cross Sectional ◽  
Ultrathin Sections ◽  
The Cross ◽  
Sectional Shape ◽  
Valonia Ventricosa ◽  
C Nmr

The only form of cellulose which could unequivocally be ascribed to the animal kingdom is the tunicin that occurs in the tests of the tunicates. Recently, high-resolution solid-state l3C NMR revealed that tunicin belongs to the Iβ form of cellulose as opposed to the Iα form found in Valonia and bacterial celluloses. The high perfection of the tunicin crystallites led us to study its crosssectional shape and to compare it with the shape of those in Valonia ventricosa (V.v.), the goal being to relate the cross-section of cellulose crystallites with the two allomorphs Iα and Iβ.In the present work the source of tunicin was the test of the ascidian Halocvnthia papillosa (H.p.). Diffraction contrast imaging in the bright field mode was applied on ultrathin sections of the V.v. cell wall and H.p. test with cellulose crystallites perpendicular to the plane of the sections. The electron microscope, a Philips 400T, was operated at 120 kV in a low intensity beam condition.

Syntheses and Cytotoxicity Screening of some Novel 1,2,4-Triazine Derivatives against Liver Carcinoma Cell Lines

2020 ◽  
Vol 17 ◽  
Author(s):  
W. Abd El-Fattah
Keyword(s):  
Acetic Anhydride ◽  
Cell Lines ◽  
Carcinoma Cell ◽  
Aromatic Aldehydes ◽  
Liver Carcinoma ◽  
Anticancer Activities ◽  
Carcinoma Cell Lines ◽  
Elemental Analyses ◽  
Triazine Derivatives ◽  
C Nmr

: In this work, 1,2,4-triazine derivatives were synthesized and evaluated for anticancer activities. Series of 1,2,4-triazine derivatives (4a, b) were prepared via the reaction of N-benzoyl glycine (1) with aromatic aldehydes in presence of fused sodium acetate and acetic anhydride to give 1,3-oxazolinone derivatives (2a, b), followed by condensation with 1-(ethoxycarbonyl) hydrazine (3) in glacial acetic acid. Compounds (4a, b) then reacted with acetic anhydride, ethyl chloroacetate and 2,4-dinitrophenyl hydrazine yielded the corresponding to N-acetyl derivatives (5a, b), N-(ethoxycarbonyl) methyl derivative (6) and 1,2-disubstituted hydrazine (7), respectively. The structures of the 1,2,4-triazine derivatives were confirmed by IR, 1H, 13C NMR, MS and elemental analyses. Anticancer activity of some 1,2,4-triazine derivatives (4-7) have been investigated. The results revealed that compounds 4a (IC50= 2.7μM), 5a (IC50= 1.5μM), and 5b (IC50= 3.9μM) show promising inhibitory growth efficacy compared to a standard antitumor drug (IC50= 4.6μM). These three compounds can be considered as potential agents against human hepatocellular carcinoma cell lines (HepG-2).

The mechanism of formation of 2,7-dimethyl-2,6-octadiene in the synthesis of 3-methylene-7-methyl-1,6-octadiene

1983 ◽  
Vol 48 (7) ◽  
pp. 1864-1866
Author(s):  
Jan Bartoň ◽  
Ivan Kmínek
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Alkali Metal ◽  
Chromatographic Analysis ◽  
Solid Phase ◽  
Reaction Pathway ◽  
Mechanism Of Formation ◽  
Gas Chromatographic Analysis ◽  
C Nmr ◽  
Visual Observations

2,7-Dimethyl-2,6-octadiene is formed in the catalytic solution for the dimerization of 2-methyl-1,3-butadiene to β-myrcene (3-methylene-7-methyl-1,6-octadiene), as revealed by mass spectrometry and 13C NMR spectroscopy. Visual observations together with the results of gas chromatographic analysis of the catalytic solution suggest that the formation of 2,7-dimethyl-2,6-octadiene is associated with the transition of the alkali metal (sodium) from the solid phase into the solution. A reaction pathway is suggested accounting for the formation of 2,7-dimethyl-2,6-octadiene in the system.

Conformational structure of ethylene glycol dibenzoate. Vibrational and NMR spectra

1981 ◽  
Vol 46 (8) ◽  
pp. 1913-1929 ◽  
Author(s):  
Bohdan Schneider ◽  
Pavel Sedláček ◽  
Jan Štokr ◽  
Danica Doskočilová ◽  
Jan Lövy
Keyword(s):  
Ethylene Glycol ◽  
Vibrational Spectra ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
Conformational Structure ◽  
Infrared And Raman Spectra ◽  
H Nmr ◽  
Liquid States ◽  
Crystalline Forms ◽  
C Nmr

It was found that three crystalline forms of ethylene glycol dibenzoate can be prepared. Infrared and Raman spectra of these three forms, as well as of the glassy and liquid states, were measured. From 3JHH coupling constants obtained by analysis of the 13C satellite band of the -CH2- group in 1H NMR spectra, and from the 3JCH coupling constants of the -CO.O.CH2- fragment obtained by analysis of the carbonyl band in 13C NMR spectra it was found that in the liquid state the -CH2-CH2- group exists predominantly in the gauche conformational structure, and the bonds C-O-C-C assume predominantly a trans orientation. The results of the analysis of NMR and vibrational spectra were used for the structural interpretation of conformationally sensitive bands in vibrational spectra of ethylene glycol dibenzoate.

Thermal cyclocondensations of 3-N(4- and 5-benzimidazolyl and benztriazolyl)amino derivatives of 2-propenoic acid

1987 ◽  
Vol 52 (12) ◽  
pp. 2918-2925 ◽  
Author(s):  
Viktor Milata ◽  
Dušan Ilavský
Keyword(s):  
Uv Spectra ◽  
Propenoic Acid ◽  
Amino Derivatives ◽  
Derivatives Of ◽  
C Nmr ◽  
Ir And Uv Spectra

The cyclization of 3-N(4- and 5-benzimidazolyl and benztriazolyl)amino-2-cyano- and 2-ethoxycarbonyl-2-propenoate esters Ia, b-IVa, b under the conditions of the Gould-Jacobs reaction leads to angularly ring-fused substituted imidazo or triazolo[4,5-f] (V, VI) and [4,5-h] (VII, VIII) quinolines, respectively. The esters Vb-VIIIb have been transformed into the corresponding chloroderivatives Vc-VIIIc. 3-N(5-Benzimidazolyl and 5-benztriazolyl)amino-2-cyano-2-propenenitriles are cyclized in the presence of aluminium(III) chloride to give the aminoquinolines Vd, VId. The structure of the products has been characterized by their 1H, 13C NMR, IR, and UV spectra.

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