1120-93-0Relevant articles and documents
Use of a scaled quantum-mechanical (SQM) force field for the interpretation and prediction of the vibrational spectra of 4H-pyran-4-thione
Somogyi, Arpad,Jalsovszky, George,Fueloep, Csaba,Stark, Jeff,Boggs, James E.
, p. 679 - 694 (1989)
The gas-phase i.r. spectrum of 4H-pyran-4-thione has been recorded by a Nicolet 7199 FTIR spectrometer and interpreted using a general valence force field calculated quantum mechanically at the ab initio level with a split valence 4-21 basis.The theoretical ab initio force field was scaled using the scale factors obtained for related molecules, 4H-pyran-4-one and thioformaldehyde.The resulting scaled force field gave unequivocal assignment for the observable gas-phase bands and predicted the other bands picked up from the i.r. spectra of the melt, CHCl3 and CCl4 solutions with satisfactory accuracy.To study thiocarbonyl compounds by the SQM procedure at the 4-21 ab initio level the following scale factors are recommended for the thiocarbonyl group: νC=S = 0.890, βC=S = 0.817 and γC=S = 0.724.
Synthesis and anti-MRSA activity of novel cephalosporin derivatives
D'Andrea, Stan V.,Bonner, Daniel,Bronson, Joanne J.,Clark, Junius,Denbleyker, Ken,Fung-Tomc, Joan,Hoeft, Shelley E.,Hudyma, Thomas W.,Matiskella, John D.,Miller, Raymond F.,Misco, Peter F.,Pucci, Michael,Sterzycki, Roman,Tsai, Yuan,Ueda, Yasutsuga,Wichtowski, John A.,Singh, Janak,Kissick, Thomas P.,North, Jeffery T.,Pullockaran, Annie,Humora, Michael,Boyhan, Brenda,Vu, Truc,Fritz, Alan,Heikes,Fox, Rita,Godfrey, Jollie D.,Perrone, Robert,Kaplan, Murray,Kronenthal, David,Mueller, Richard H.
, p. 5687 - 5698 (2007/10/03)
Cephalosporin derivatives containing a unique combination of lipophilic C-7 sidechains and polar C-3 thiopyridinium groups were synthesized and found to exhibit potent anti-MRSA activity in vitro and in vivo. The optimum C-7 sidechains utilized were 2,5-dichlorophenylthioacetamido and 2,6-dichloropyrid-4-ylthioacetamido. The C-3 thiopyridinium rings were substituted at nitrogen with amino acid and pyruvic acid groups that were designed to confer aqueous solubility as required for IV formulation. This paper describes the characteristics of these novel cephalosporins and highlights synthetic methods developed to allow their practical, large-scale syntheses. (C) 2000 Elsevier Science Ltd.
SYNTHESES OF VINYLOGOUS 4H-PYRONES FROM 2,6-DIMETHYL-4H-PYRAN-4-THIONE AND ARENYL BROMOMETHYL KETONES
Ohkata, Katsuo,Imagawa, Masao,Akiba, Kin-ya
, p. 2817 - 2820 (2007/10/02)
2,6-Dimethyl-4H-pyran-4-ylideneacetophenones (5) were prepared by desulfurization of mercaptopyrilium salts (4) with diazabicycloundecene (DBU) in moderate yield.The 1H NMR spectra in CDCl3 solution of 5 show the exclusive preference for s-cis conf
