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Trifluoroacetyl Group (trifluoroacetyl + group)
Selected AbstractsChemInform Abstract: Effect of the Trifluoroacetyl Group on the Direction of the Recyclization of the Pyrazine Ring in 6-Trifluoroacetylpyrrolo[1,2-a]pyrazinium Salts.CHEMINFORM, Issue 34 2008V. I. Terenin Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a "Full Text" option. The original article is trackable via the "References" option. [source] Highly Efficient Synthesis of New ,-Arylamino-,,-chloropropan-2-ones via Oxidative Hydrolysis of Vinyl Chlorides Promoted by Calcium HypochloriteADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 18 2009Vittorio Pace Abstract The oxidative hydrolysis of different trifluoroacetyl-protected N -(2-chloroallyl)anilines, promoted by calcium hypochlorite, is able to yield several not previously described ,-arylamino-,,-chloropropan-2-ones, very valuable building blocks that are useful as precursors of several drugs, in excellent yields and short reaction times. The main requirement of the reaction for avoiding the undesired aromatic chlorination (N -protection) is effectively solved by the use of the easily formed and removed N -trifluoroacetyl group. Thus, it is possible to perform the oxidative hydrolysis-deprotection step using a one-pot strategy, obtaining quantitative yields in very short reaction times. [source] Contribution of the trifluoroacetyl group in the thermodynamics of antigen,antibody bindingJOURNAL OF MOLECULAR RECOGNITION, Issue 3 2010Masayuki Oda Abstract We analyzed the binding of the 7C8 antibody to the chloramphenicol phosphonate antigens,one containing a trifluoroacetyl group (CP-F) and the other containing an acetyl group (CP-H),by using isothermal titration calorimetry (ITC). The thermodynamic difference due to the substitution of F by H was evaluated using free energy calculations based on molecular dynamics (MD) simulations. We have previously shown that another antibody, namely, 6D9, binds more weakly to CP-H than to CP-F, mainly due to the different hydration free energies of the dissociated state and not due to the unfavorable hydrophobic interactions with the antibody in the bound state. Unlike in the binding of the trifluoroacetyl group with 6D9, in its binding with 7C8, it is exposed to the solvent, as seen in the crystal structure of the complex of 7C8 with CP-F. The thermodynamic analysis performed in this study showed that the binding affinity of 7C8 for CP-H is similar to that for CP-F, but this binding to CP-H is accompanied with less favorable enthalpy and more favorable entropy changes. The free energy calculations indicated that, upon the substitution of F by H, enthalpy and entropy changes in the associated and dissociated states were decreased, but the magnitude of enthalpy and entropy changes in the dissociated state was larger than that in the associated state. The differences in binding free energy, enthalpy, and entropy changes determined by the free energy calculations for the substitution of F by H are in good agreement with the experimental results. Copyright © 2009 John Wiley & Sons, Ltd. [source] | ||||||||||