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Cyano Derivatives (cyano + derivative)

Distribution by Scientific Domains
Chemistry100%

Selected Abstracts

Synthesis of Cyano Derivatives of Pyrimidine Compounds and Their Influence on the Leukocytic System of Blood.

CHEMINFORM, Issue 23 2005
P. P. Purygin
No abstract is available for this article. [source]

Synthesis of Sulfoximines and Sulfilimines with Aryl and Pyrazolylmethyl Substituents

ADVANCED SYNTHESIS & CATALYSIS (PREVIOUSLY: JOURNAL FUER PRAKTISCHE CHEMIE), Issue 2-3 2010
Olga García Mancheño
Abstract Sulfoximines bearing pyrazolylmethyl and aryl substituents, which are relevant to the crop protection industry, and their corresponding sulfilimine intermediates, have been prepared from sulfide precursors by either iron-catalyzed nitrogen transfer reactions or metal-free imination procedures. Whereas the former approach leads to N -nosyl-substituted products, the latter affords N -cyano derivatives. [source]

A joint study based on the electron localization function and catastrophe theory of the chameleonic and centauric models for the Cope rearrangement of 1,5-hexadiene and its cyano derivatives

JOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 14 2005
Victor Polo
Abstract A novel interpretation of the chameleonic and centauric models for the Cope rearrangements of 1,5-hexadiene (A) and different cyano derivatives (B: 2,5-dicyano, C: 1,3,4,6-tetracyano, and D: 1,3,5-tricyano) is presented by using the topological analysis of the electron localization function (ELF) and Thom's catastrophe theory (CT) on the reaction paths calculated at the B3LYP/6-31G(d,p) level. The progress of the reaction is monitorized by the changes of the ELF structural stability domains (SSD), each being change controlled by a turning point derived from CT. The reaction mechanism of the parent reaction A is characterized by nine ELF SSDs. All processes occur in the vicinity of the transition structure and corresponding to a concerted formation/breaking of C1C6 and C3C4 bonds, respectively, together with an accumulation of charge density onto C2 and C5 atoms. Reaction B presents the same number of ELF SSDs as A, but a different order appears; the presence of 2,5-dicyano substituents favors the formation of C1C6 bonds over the breaking of C3C4 bond process, changing the reaction mechanism from a concerted towards a stepwise, via a cyclohexane biradical intermediate. On the other side, reaction C presents the same type of turning points but two ELF SSD less than A or B; there is an enhancement of the C3C4 bond breaking process at an earlier stage of the reaction by delocalizing the electrons from the C3C4 bond among the cyano groups. In the case of competitive effects of cyano subsituents on each moiety, as it is for reaction D, seven different ELF SSDs have been identified separated by eight turning points (two of them occur simultaneously). Both processes, formation/breaking of C1C6 and C3C4 bonds, are slightly favored with respect to the parent reaction (A), and the TS presents mixed electronic features of both B and C. The employed methodology provides theoretical support for the centauric nature (half-allyl, half-radical) for the TS of D. © 2005 Wiley Periodicals, Inc. J Comput Chem 26: 1427,1437, 2005 [source]

Crystallization and diffraction patterns of the oxy and cyano forms of the Lucina pectinata haemoglobins complex

ACTA CRYSTALLOGRAPHICA SECTION F (ELECTRONIC), Issue 1 2009
Carlos R. Ruiz-Martínez
The native oxygen-carrier haemoglobins complex (HbII,III) is composed of haemoglobin II (HbII) and haemoglobin III (HbIII), which are found in the ctenidia tissue of the bivalve mollusc Lucina pectinata. This protein complex was isolated and purified from its natural source and crystallized using the vapour-diffusion and capillary counter-diffusion methods. Oxy and cyano derivatives of the complex crystallized using several conditions, but the best crystals in terms of quality and size were obtained from sodium formate pH 5 using the counter-diffusion method in a single capillary. Crystals of the oxy and cyano complexes, which showed a ruby-red colour and nonsingular prismatic shapes, scattered X-rays to resolution limits of 2.15 and 2.20,Å, respectively, using a 0.886,Å synchrotron-radiation source. The crystals belonged to the tetragonal system, space group P42212, with unit-cell parameters a = b = 74.07, c = 152.07 and a = b = 73.83, c = 152.49,Å for the oxy and cyano complexes, respectively. The asymmetric unit of both crystals is composed of a single copy of the heterodimer, with Matthew coefficients (VM) of 3.08 and 3.06,Å3,Da,1 for the oxy and cyano complexes, respectively, which correspond to a solvent content of approximately 60.0% by volume. [source]