Conformational analysis of 3,3-dimethyl-3-silathiane, 2,3,3-trimethyl-3-silathiane and 2-trimethylsilyl-3,3-dimethyl-3-silathiane-preferred conformers, barriers to ring inversion and substituent effects

2010 ◽  
Vol 23 (9) ◽  
pp. 859-865 ◽  
Author(s):  
Svetlana V. Kirpichenko ◽  
Erich Kleinpeter ◽  
Bagrat A. Shainyan
Keyword(s):  
Conformational Analysis ◽  
Substituent Effects ◽  
Ring Inversion

ChemInform Abstract: THE CONFORMATIONAL ANALYSIS OF SATURATED HETEROCYCLES PART 56, SUBSTITUENT EFFECTS IN THE CONFORMATIONAL EQUILIBRIA OF SPIRO-OXAZOLINES

1974 ◽  
Vol 5 (20) ◽  
pp. no-no
Author(s):  
RICHARD A. Y. JONES ◽  
ALAN R. KATRITZKY ◽  
KEITH A. F. RECORD ◽  
ROGER SCATTERGOOD ◽  
JOHN M. SULLIVAN
Keyword(s):  
Conformational Analysis ◽  
Substituent Effects ◽  
Conformational Equilibria ◽  
Saturated Heterocycles

Application of photoelectron spectroscopy to substituent effects. Conformational analysis of some flexible allylic ethers and alcohols

1979 ◽  
Vol 57 (14) ◽  
pp. 1890-1896 ◽  
Author(s):  
R. S. Brown ◽  
R. W. Marcinko ◽  
A. Tse
Keyword(s):  
Conformational Analysis ◽  
Gas Phase ◽  
Photoelectron Spectroscopy ◽  
Ionization Energy ◽  
Substituent Effects ◽  
Allylic Alcohol ◽  
Tert Butyl ◽  
Cis And Trans ◽  
Allylic Ethers

He(I) photoelectron (pe) spectroscopy is applied to determine the preferred gas phase conformations of a limited number of flexible allylic ethers and alcohols. Based on earlier observations that the π-ionization energy is increased more when the allylic C—O bond is coplanar (with the π-system) than when it is perpendicular, the pe spectrum of cis and trans-4-tert-butyl-2-cyclohexanol and their corresponding ethers, and 5α-hydroxy(and methoxy)-10α-Δ3-octalin have been determined. The results indicate that when a coplanar arrangement of the allylic C—O bond can be attained, it is preferred, leading to a favored conformation of the allylic alcohol or ether.

scholarly journals Synthesis, Characterization, Stereochemistry and Antimicrobial Evaluation of N-Acyltetrahydrobenzodiazepin-2-ones

2020 ◽  
Vol 32 (5) ◽  
pp. 1007-1014
Author(s):  
A. Akila ◽  
P. Sakthivel ◽  
S. Ponnuswamy
Keyword(s):  
Antimicrobial Activity ◽  
Conformational Analysis ◽  
Spectral Data ◽  
Coupling Constants ◽  
Boat Conformation ◽  
Coupling Constant ◽  
Ring Inversion ◽  
Spectral Techniques ◽  
Antimicrobial Evaluation ◽  
Substituted 1

A few N5-substituted (1) and N1,N5-disubstituted tetrahydro-1,5-benzodiazepin-2-ones (2-8) viz. N5-chloroacetyl-, N5-formyl-, N5-dichloro-acetyl-, N1,N5-diethoxycarbonyl-, N1,N5-bischloroacetyl-, N5-piperazinoacetyl- and N5-morpholinoacetyltetrahydro-1,5-benzodiazepin-2-ones have been synthesized. The characterization and conformational analysis of these compounds 2-8 have been carried out using IR and 1H, 13C, DEPT & 2D (COSY & HSQC) NMR spectral techniques. The coupling constants for compounds 3-6 were determined by irradiating the C4-methyl doublet. The appearance of major and minor conformers has been found in the case of benzodiazepin-2-ones (3 and 6) and the spectral data confirm the equilibrium due to ring inversion over the N-C=O rotation. The spectral data and the extracted coupling constant values revealed that the substituted tetrahydro-1,5-benzodiazepin-2-ones (2-8) prefer to adopt boat conformation. The antimicrobial activity of compounds 1-8 has also been evaluated.

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