Extensive 1D, 2D NMR Spectra of Some [7.0]Metacyclophanes and X-ray Analysis of (±)-Myricanol

1996 ◽  
Vol 59 (8) ◽  
pp. 759-764 ◽  
Author(s):  
Balawant S. Joshi ◽  
S. William Pelletier ◽  
M. Gary Newton ◽  
Doowon Lee ◽  
Georgia B. McGaughey ◽  
...  
Keyword(s):  
Nmr Spectra ◽  
2D Nmr ◽  
X Ray ◽  
2D Nmr Spectra

scholarly journals Reactions of 3-(p-substituted-phenyl)-5-chloromethyl-1,2,4-oxadiazoles with KCN leading to acetonitriles and alkanes via a non-reductive decyanation pathway

2018 ◽  
Vol 14 ◽  
pp. 3011-3017
Author(s):  
Akın Sağırlı ◽  
Yaşar Dürüst
Keyword(s):  
Nmr Spectra ◽  
2D Nmr ◽  
Synthetic Route ◽  
X Ray ◽  
H Nmr ◽  
2D Nmr Spectra ◽  
Tof Ms ◽  
C Nmr

The present work describes an unfamiliar reaction of 5-(chloromethyl)-3-substituted-phenyl-1,2,4-oxadiazoles with KCN affording trisubstituted 1,2,4-oxadiazol-5-ylacetonitriles and their parent alkanes, namely, 1,2,3-trisubstituted-1,2,4-oxadiazol-5-ylpropanes. To the best of our knowledge, the current synthetic route leading to decyanated products will be the first in terms of a decyanation process which allows the transformation of trisubstituted acetonitriles into alkanes by the incorporation of KCN with the association of in situ-formed HCN and most likely through the extrusion of cyanogen which could not be detected or isolated. In addition, the plausible mechanisms were proposed for both transformations. The structures of the title compounds were identified by means of IR, 1H NMR, 13C NMR, 2D NMR spectra, TOF–MS and X-ray measurements.

scholarly journals Investigation of 8-Aza-7-Deaza Purine Nucleoside Derivatives

Molecules ◽  
2019 ◽  
Vol 24 (5) ◽  
pp. 983
Author(s):  
Hang Ren ◽  
Haoyun An ◽  
Jingchao Tao
Keyword(s):  
Anticancer Activity ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Purine Nucleoside ◽  
X Ray ◽  
2D Nmr Spectra ◽  
Purine Ring ◽  
New Compounds

Glycosylation of 6-amino-4-methoxy-1H-pyrazolo[3,4-d]pyrimidine and its iodo- and bromo- analogues with the protected ribofuranose and 2′-deoxyribofuranose under different conditions resulted in the synthesis of N9- and N8-glycosylated purine nucleosides. Five key intermediate nucleosides, having 6-methoxy, 7-iodo, and 2-bromo groups, were further derivatized to 23 final 8-aza-7-deazapurine nucleoside derivatives. The structures of N9- and N8-glycosylated products were assigned based on UV and NMR spectra. HMBC analysis of 2D NMR spectra and X-ray crystallographic studies of the representative compounds unambiguously verified the connection of ribose ring to N9- or N8-position of the purine ring. The anticancer activity of these new compounds was evaluated.

A Green Synthesis and a Chemical Study of the Coumarin, 1-(2-Hydroxy- 2-methyl-2H-chromen-3yl)ethanone

2019 ◽  
Vol 16 (2) ◽  
pp. 128-133
Author(s):  
Emerson Teixeira da Silva ◽  
Ligia Souza da Silveira Pinto ◽  
Solange Maria Silva Veloso Wardell ◽  
James Lewis Wardell ◽  
Marcus Vinícius Nora de Souza
Keyword(s):  
Green Synthesis ◽  
Nmr Spectra ◽  
Chemical Study ◽  
2D Nmr ◽  
Mechanistic Study ◽  
X Ray ◽  
X Ray Crystallography ◽  
General Importance ◽  
2D Nmr Spectra ◽  
Coumarin 1

Coumarins are a class of natural and synthetic products with a wide variety of applications in different fields. Due to the general importance of coumarins, the objective of this work is to further develop the chemistry of 1-(2-hydroxy-2-methyl-2H-chromen-3yl)ethanone, 1, a potentially useful and versatile coumarin but an under-reported compound in the literature. This work describes a green preparation of 1 in the absence of solvents and acids, thereby eliminating byproducts, normally obtained in classical procedures, and a mechanistic study of the reactions of 1 with nucleophiles. In addition, we report the characterisation of 1-(2-ethoxy-2-methyl-2H-chromen-3-yl)ethanone 2, via X-ray crystallography and 2D NMR spectra.

Syntheses, Structures, and Spectroscopic Properties of Alkoxide, Hydroxide, and Siloxide Complexes with (η3-Allyl)Mo Moieties

1999 ◽  
Vol 54 (4) ◽  
pp. 473-481 ◽  
Author(s):  
Cornelia Borgmann ◽  
Christian Limberg ◽  
László Zsolnai ◽  
Katja Heinze
Keyword(s):  
Solid State ◽  
Low Temperature ◽  
Single Crystal ◽  
Nmr Spectra ◽  
Room Temperature ◽  
2D Nmr ◽  
Spectroscopic Properties ◽  
State Structure ◽  
X Ray ◽  
2D Nmr Spectra

Salts with binuclear anions of the general formula [(η3-C3H4R)(CO)2Mo(μ-OR′)2(μ-OR″)-Mo(CO)2(η3-C3H4R)]- (R = h , R′, R″ = Me, 2 ; R = CH3, R′ = CH(CH3)2, R″ = OH, 3; R = CH3, R′ = OH, R″ = OSiMe3, 4) have been synthesised via reaction of [(η3-C3H4R)- Mo(CO)2(CH3CN)2(thf)]+BF4- , 1, with NaOMe, NaOiPr, and KOSiMe3. All products were characterised spectroscopically and investigated by single crystal X-ray analysis. In the case of 3 low temperature 2D-NMR spectra revealed that the solid state structure is maintained in solution and that the compound shows a trigonal twist-rearrangement at room temperature.

Differential Analysis of 2D NMR Spectra: New Natural Products from a Pilot-Scale Fungal Extract Library

2007 ◽  
Vol 46 (6) ◽  
pp. 901-904 ◽  
Author(s):  
Frank C. Schroeder ◽  
Donna M. Gibson ◽  
Alice C. L. Churchill ◽  
Punchapat Sojikul ◽  
Eric J. Wursthorn ◽  
...  
Keyword(s):  
Natural Products ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Pilot Scale ◽  
Differential Analysis ◽  
Fungal Extract ◽  
2D Nmr Spectra

scholarly journals New Antimalarial and Antimicrobial Tryptamine Derivatives from the Marine Sponge Fascaplysinopsis reticulata

Marine Drugs ◽  
2019 ◽  
Vol 17 (3) ◽  
pp. 167 ◽  
Author(s):  
Pierre-Eric Campos ◽  
Emmanuel Pichon ◽  
Céline Moriou ◽  
Patricia Clerc ◽  
Rozenn Trépos ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
Minimum Inhibitory Concentration ◽  
Marine Sponge ◽  
Nmr Spectra ◽  
Inhibitory Concentration ◽  
Chemical Study ◽  
2D Nmr ◽  
Antimicrobial Activities ◽  
2D Nmr Spectra ◽  
Ic50 Values

Chemical study of the CH2Cl2-MeOH (1:1) extract of the sponge Fascaplysinopsis reticulata collected in Mayotte highlighted three new tryptophan derived alkaloids, 6,6′-bis-(debromo)-gelliusine F (1), 6-bromo-8,1′-dihydro-isoplysin A (2) and 5,6-dibromo-8,1′-dihydro-isoplysin A (3), along with the synthetically known 8-oxo-tryptamine (4) and the three known molecules from the same family, tryptamine (5), (E)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (6) and (Z)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (7). Their structures were elucidated by 1D and 2D NMR spectra and HRESIMS data. All compounds were evaluated for their antimicrobial and their antiplasmodial activities. Regarding antimicrobial activities, the best compounds are (2) and (3), with minimum inhibitory concentration (MIC) of 0.01 and 1 µg/mL, respectively, towards Vibrio natrigens, and (5), with MIC values of 1 µg/mL towards Vibrio carchariae. In addition the known 8-oxo-tryptamine (4) and the mixture of the (E)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (6) and (Z)-6-bromo-2′-demethyl-3′-N-methylaplysinopsin (7) showed moderate antiplasmodial activity against Plasmodium falciparum with IC50 values of 8.8 and 8.0 µg/mL, respectively.

scholarly journals Advanced solvent signal suppression for the acquisition of 1D and 2D NMR spectra of Scotch Whisky

2017 ◽  
Vol 55 (9) ◽  
pp. 785-796 ◽  
Author(s):  
Will Kew ◽  
Nicholle G.A. Bell ◽  
Ian Goodall ◽  
Dušan Uhrín
Keyword(s):  
Nmr Spectra ◽  
2D Nmr ◽  
Signal Suppression ◽  
2D Nmr Spectra ◽  
Solvent Signal Suppression ◽  
Scotch Whisky

scholarly journals Hierarchical Alignment and Full Resolution Pattern Recognition of 2D NMR Spectra: Application to Nematode Chemical Ecology

2011 ◽  
Vol 83 (5) ◽  
pp. 1649-1657 ◽  
Author(s):  
Steven L. Robinette ◽  
Ramadan Ajredini ◽  
Hasan Rasheed ◽  
Abdulrahman Zeinomar ◽  
Frank C. Schroeder ◽  
...  
Keyword(s):  
Pattern Recognition ◽  
Chemical Ecology ◽  
Nmr Spectra ◽  
2D Nmr ◽  
Full Resolution ◽  
2D Nmr Spectra
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