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Jessica Orrego Hernandez Jaime Portilla Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(5):363-368
Cyclohexylamine reacts with 5‐chloro‐3‐methyl‐1‐(pyridin‐2‐yl)‐1H‐pyrazole‐4‐carbaldehyde to give 5‐cyclohexylamino‐3‐methyl‐1‐(pyridin‐2‐yl)‐1H‐pyrazole‐4‐carbaldehyde, C16H20N4O, (I), formed by nucleophilic substitution, but with 5‐chloro‐3‐methyl‐1‐phenyl‐1H‐pyrazole‐4‐carbaldehyde the product is (Z)‐4‐[(cyclohexylamino)methylidene]‐3‐methyl‐1‐phenyl‐1H‐pyrazol‐5(4H)‐one, C17H21N3O, (II), formed by condensation followed by hydrolysis. Compound (II) crystallizes with Z′ = 2, and in one of the two independent molecular types the cyclohexylamine unit is disordered over two sets of atomic sites having occupancies of 0.65 (3) and 0.35 (3). The vinylogous amide portion in each compound shows evidence of electronic polarization, such that in each the O atom carries a partial negative charge and the N atom of the cyclohexylamine portion carries a partial positive charge. The molecules of (I) contain an intramolecular N—H...N hydrogen bond, and they are linked by C—H...O hydrogen bonds to form sheets. Each of the two independent molecules of (II) contains an intramolecular N—H...O hydrogen bond and each molecular type forms a centrosymmetric dimer containing one R22(4) ring and two inversion‐related S(6) rings. 相似文献
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Very Facile Polarity Umpolung and Noncovalent Functionalization of Inorganic Nanoparticles: A Tool Kit for Supramolecular Materials Chemistry 下载免费PDF全文
Lukas Zeininger Stefanie Petzi Jörg Schönamsgruber Luis Portilla Prof. Dr. Marcus Halik Prof. Dr. Andreas Hirsch 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(40):14030-14035
The facile assembly of shell‐by‐shell (SbS)‐coated nanoparticles [TiO2?PAC16]@shell 1 – 7 (PAC16=hexadecylphosphonic acid), which are soluble in water and can be isolated as stable solids, is reported. In these functional architectures, an umpolung of dispersibility (organic apolar versus water) was accomplished by the noncovalent binding of ligands 1 – 7 to titania nanoparticles [TiO2?PAC16] containing a first covalent coating with PAC16. Ligands 1 – 7 are amphiphilic and form the outer second shell of [TiO2?PAC16]@shell 1 – 7 . The tailor‐designed dendritic building blocks 3 – 5 contain negative and positive charges in the same molecule, and ligands 6 and 7 contain a perylenetetracarboxylic acid dimide (PDI) core ( 6 / 7 ) as a photoactive reporter component. In the redox and photoactive system [TiO2?PAC16]@shell 7 , electronic communication between the inorganic core to the PDI ligands was observed. 相似文献
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Jaime Portilla Ina Ontiveros Justo Cobo Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(2):172-174
The molecular skeleton of the title compound, C11H9F3N4O2, is almost planar and exhibits a polarized (charge‐separated) electronic structure in the nitroaniline portion. Molecules are linked by N—H...N and C—H...O hydrogen bonds to form a chain in which centrosymmetric R22(6) and R22(16) rings alternate. 相似文献
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Tianqi Liu Rosa Casado‐Portilla James Belmont Krzysztof Matyjaszewski 《Journal of polymer science. Part A, Polymer chemistry》2005,43(20):4695-4709
The functionalization of carbon black surface with atom transfer radical polymerization (ATRP) initiating sites and subsequent ATRP of n‐butyl acrylate (n‐BA) and t‐butyl acrylate (t‐BA) from the surface of carbon black is reported. The polymerizations were carried out using CuBr/N,N,N′,N″,N″‐pentamethyldiethylenetriamine as the primary catalytic system in anisole at 70 °C. The initiator density on carbon black surface was tuned and the effect of initiator density on the polymers grafted on the surface was illustrated. Polymerizations were also performed in the presence of a sacrificial initiator to indirectly monitor the molecular weight evolution of polymers formed in the system. Block copolymerization of t‐BA initiated from poly(n‐BA) grafted carbon black was conducted to achieve water‐dispersible carbon black composites after cleavage of the t‐butyl groups. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 4695–4709, 2005 相似文献
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J. Quiroga J. Portilla B. Insuasty R. Abonía M. Nogueras M. Sortino S. Zacchino 《Journal of heterocyclic chemistry》2005,42(1):61-66
The synthesis of a series of bis‐pyrazolo[3,4‐b:4′,3′‐e]pyridines ( 3 ) in the reaction of 5‐amino‐3‐methyl‐1‐phenylpyrazole ( 1 ) with aldehydes ( 2 ) under microwave irradiation and solvent‐free conditions is described. The structure elucidation of the products is based on detailed nmr analysis of experiments such as 1H‐COSY, NOESY, DEPT, HSQC and HMBC. These compounds showed moderate antifungal in vitro activity against dermatophytes. 相似文献
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Jaime Portilla Jairo Quiroga Justo Cobo John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(6):o332-o333
In the title compound, C13H10O4, prepared by the condensation reaction between phthalic anhydride and pentane‐2,4‐dione, one of the acetyl groups in the pentane‐2,4‐dione fragment is almost coplanar with the isobenzofuran ring system, while the other group is twisted out of this plane by almost 80°. The corresponding C—C and C—O distances in the two acetyl units are consistent with dipolar delocalization into the coplanar unit only. There is no supramolecular aggregation of the molecules, but a number of rather short intermolecular contacts of C—H...O, O...O and O...C types occur. 相似文献
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A series of 2-(pyrazolo[1,5-a]pyrimidin-5-yl)benzoic acids 5 has been prepared by a novel protocol that uses the fusion method between 5-amino-1H-pyrazoles 4 and 3-(3-oxo-2-benzofuran-1(3H)-ylidene)pentane-2,4-dione 3. The use of this novel protocol renders good to excellent yields along with short reaction times. In addition, this solvent-free cyclocondensation proceeds in a regiospecific fashion by intramolecular ring opening of the furane ring in a Michael-type reaction. 相似文献