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Aerobic oxidative Heck/dehydrogenation reactions of cyclohexenones: efficient access to meta-substituted phenols.
Yusuke Izawa et al.
Angewandte Chemie (International ed. in English), 52(13), 3672-3675 (2013-02-21)
Panpan Zhou et al.
Physical chemistry chemical physics : PCCP, 14(28), 9890-9896 (2012-06-20)
A new condensed form of the Fukui function, the natural orbital Fukui function (NOFF), is proposed and derived from natural bond orbital occupancy. It is defined as the change in natural bond orbital occupancy upon electronic perturbation (electron addition to...
Emanuele Monza et al.
The journal of physical chemistry. A, 115(45), 12864-12878 (2011-07-19)
The source function (SF) introduced in late 90s by Bader and Gatti quantifies the influence of each atom in a system in determining the amount of electron density at a given point, regardless of the atom's remote or close location...
Amelia W Ray et al.
The journal of physical chemistry. A, 116(25), 6720-6730 (2012-05-29)
Earlier synchrotron photoionization mass spectrometry experiments suggested a prominent ring-opening channel in the OH-initiated oxidation of cyclohexene, based on comparison of product photoionization spectra with calculated spectra of possible isomers. The present work re-examines the OH + cyclohexene reaction, measuring...
Oleg Y Lyakin et al.
Inorganic chemistry, 50(12), 5526-5538 (2011-05-24)
Complexes [(BPMEN)Fe(II)(CH(3)CN)(2)](ClO(4))(2) (1, BPMEN = N,N'-dimethyl-N,N'-bis(2-pyridylmethyl)-1,2-diaminoethane) and [(TPA)Fe(II)(CH(3)CN)(2)](ClO(4))(2) (2, TPA = tris(2-pyridylmethyl)amine) are among the best nonheme iron-based catalysts for bioinspired oxidation of hydrocarbons. Using EPR and (1)H and (2)H NMR spectroscopy, the iron-oxygen intermediates formed in the catalyst systems...
Hydration of cyclohexene with solid acid catalysts.
Zhang H, et al.
Chemical Engineering Science, 57(2), 315-322 (2002)
Yuan Fang et al.
The journal of physical chemistry letters, 10(3), 468-473 (2019-01-03)
The adsorption of limonene, a common organic compound found in indoor air, on hydrophilic surfaces such as glass (SiO2), a prevalent surface in the indoor environment, is poorly understood. In this study, we have investigated the interaction of limonene and...
Hiroshi Nagase et al.
Bioorganic & medicinal chemistry letters, 22(15), 5071-5074 (2012-06-30)
To clarify the essential structures of an opioid κ receptor selective agonist, nalfurafine, for binding to the κ receptor, we designed and synthesized some nalfurafine derivatives and the decahydro(iminoethano)phenanthrene derivatives with a cyclohexene moiety as a surrogate for the phenol...
Kinetics of liquid phase cyclohexene hydrogenation on Pd-Al/biomorphic carbon catalysts.
Caza?a F, et al.
Catalysis Today, 14-14 (2014)
Partial liquid phase hydrogenation of benzene to cyclohexene over ruthenium catalysts in the presence of an aqueous salt solution: I. Preparation, characterization of the catalyst and study of a number of process variables.
Struijk J, et al.
Applied Catalysis A: General, 83(2), 263-295 (1992)
Catalytic hydrogenation of cyclohexene: 3. Gas-phase and liquid-phase reaction on supported palladium.
Gonzo EE and Boudart M.
J. Catal., 52(3), 462-471 (1978)
Jan Lennard Wolf et al.
Physical chemistry chemical physics : PCCP, 13(23), 10952-10964 (2011-03-29)
The gas-phase ozonolysis of cyclic-alkenes (1-methyl-cyclohexene, methylene-cyclohexane, α-pinene, β-pinene) is studied with respect to the pressure dependent formation of secondary organic aerosol (SOA). We find that SOA formation is substantially suppressed at lower pressures for all alkenes under study. The...
Bryan R Goldsmith et al.
Journal of the American Chemical Society, 137(30), 9604-9616 (2015-07-04)
Olefin epoxidation catalyzed by methyltrioxorhenium (MTO, CH3ReO3) is strongly accelerated in the presence of H2O. The participation of H2O in each of the elementary steps of the catalytic cycle, involving the formation of the peroxo complexes (CH3ReO2(η(2)-O2), A, and CH3ReO(η(2)-O2)2(H2O)...
Sebastian Nybin Remello et al.
Dalton transactions (Cambridge, England : 2003), 44(46), 20011-20020 (2015-11-04)
A new water-soluble silicon(IV)-tetra(4-carboxyphenyl)porphyrin (SiTCPP) with silicon(iv), the second most abundant element on Earth, in the center of porphyrin was synthesized. Fundamental properties including protolytic behaviour of axially coordinating hydroxy groups, and electrochemical behaviour were characterized. The properties were compared...
Baocheng Zhou et al.
Molecules (Basel, Switzerland), 20(5), 8429-8439 (2015-05-15)
Iron (III) phthalocyanine complexes were employed for the first time as a mild and efficient Lewis acid catalyst in the selective oxidation of cyclohexene to cyclohexane-1,2-diol. It was found that the catalyst FePcOTf shown excellent conversion and moderate selectivity relative...
Zhong Chen et al.
Journal of Asian natural products research, 15(1), 53-58 (2013-01-18)
A new polyoxygenated cyclohexene bonianol A (1) and another new polyoxygenated seco-cyclohexene bonianol B (2) were isolated from the leaves of Uvaria boniana, and their structures were established on the basis of spectroscopic methods including IR, HR-ESI-MS, 1D, and 2D...
Philip Thomas Michael Carlsson et al.
Physical chemistry chemical physics : PCCP, 14(33), 11695-11705 (2012-07-25)
The ozonolysis of cyclohexene is studied with respect to the pressure dependent formation of stable gas-phase products and secondary organic aerosol (SOA) as well as the influence of the presence of SO(2). In addition the rate coefficient for the initial...
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the...
Rekha Singh et al.
Chemical communications (Cambridge, England), 47(38), 10809-10811 (2011-08-30)
Dimethylsulfonium methylide mediated olefination of 2-phenylethenylidene phosphonoacetate followed by the Horner-Wadsworth-Emmons reaction with aromatic aldehydes provided access to reactive 1,5-diaryl-2-ethoxycarbonyl [3]dendralenes which in situ underwent Diels-Alder cyclodimerisation leading to highly functionalised cyclohexenes with very high regio- and stereoselectivity.
Amit Aggarwal et al.
Macromolecular rapid communications, 33(14), 1220-1226 (2012-04-21)
Self-organized organic nanoparticles (ONP) are adaptive to the environmental reaction conditions. ONP of fluorous alkyl iron(III) porphyrin catalytically oxidize cyclohexene to the allylic oxidation products. In contrast, the solvated metalloporphyrin yields both allylic oxidation and epoxidation products. The ONP system...
El Sayed H El Ashry et al.
Bioorganic & medicinal chemistry, 20(9), 3000-3008 (2012-04-07)
The immunomodulating properties of functionalized [2-(arylamino)-4,4-dimethyl-6-oxo-cyclohex-1-ene] carbodithioates and 6,6-dimethyl-4-(2-(propan-2-ylidene)hydrazinyl)-6,7-dihydro-2H-indazole-3(5H)-thione compounds have been investigated. Four of them, 13, 18, 19 and 20 inhibited PBMC proliferation induced by phytohemagglutinin (PHA) in a dose dependent manner with an IC(50) of ≤ 20 μM....
Qingshan Zhao et al.
Nanoscale, 5(3), 882-885 (2012-12-15)
Rhodium complexes can be homogeneously immobilized on functionalized graphene oxide through coordination interaction. The obtained catalyst can be readily recycled and shows enhanced activity in the catalytic hydrogenation of cyclohexene.
Clean synthesis of adipic acid by direct oxidation of cyclohexene with H2O2 over peroxytungstate-organic complex catalysts.
Deng Y, et al.
Green Chemistry, 1(6), 275-276 (1999)
Ming-Der Su
The journal of physical chemistry. A, 115(20), 5157-5165 (2011-05-05)
The mechanisms of the photochemical isomerization reactions were investigated theoretically using a model system of cyclohexene (1), cycloheptene (2), norbornene (3), and two bicyclic olefins (4 and 5) using the CASSCF (six-electron/six-orbital active space) and MP2-CAS methods with the 6-311(d,p)...
Hikaru Yanai et al.
Chemical communications (Cambridge, England), 47(25), 7245-7247 (2011-05-25)
In the absence of any additional catalysts, the reactions of (CF(3)SO)(2)CH(2), aldehydes, and 1,3-dienes gave gem-bis(triflyl)cyclohexenes in excellent yields with high regioselectivity. gem-Bis(triflyl)cyclohexene products can be easily converted to the corresponding aryl trifluoromethyl sulfones.
Oxidative decarboxylation of benzilic acid by a biomimetic iron(II) complex: evidence for an iron(IV)-oxo-hydroxo oxidant from O2.
Sayantan Paria et al.
Angewandte Chemie (International ed. in English), 50(47), 11129-11132 (2011-10-01)
Mehmet Fatih Kaya et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 113, 1-9 (2013-05-23)
Infrared and Raman spectra of 1-pyrrolidino-1-cyclohexene (1pych) have experimentally been reported in the region of 4000-100 cm(-1). The conformational analysis, optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of 1pych (C10H17N) have theoretically been examined by means of...
Shogo Noguchi et al.
Bioorganic & medicinal chemistry, 19(12), 3812-3830 (2011-05-24)
Cellotriose and cellotetraose analogues carrying cyclohexene rings were developed as molecular probes which are expected to mimic the transition state conformation of hydrolysis by cellulases. The cyclohexene ring was placed at the pyranose ring being expected to locate the -1...
Mark E Fuller et al.
The Review of scientific instruments, 90(6), 064104-064104 (2019-07-01)
A new shock tube has been constructed for investigations of high-temperature chemical kinetics with an emphasis on combustion chemistry. This instrument includes a diaphragmless driver and electrical control of valving. A diaphragmless design significantly improves repeatability of experimental conditions vs...
Hideto Fujiwara et al.
Angewandte Chemie (International ed. in English), 51(52), 13062-13065 (2012-11-20)
The key step in this total synthesis of (-)-acetylaranotin is the efficient formation of the characteristic dihydrooxepine ring from cyclohexenone through an unusual vinylogous Rubottom oxidation and a regioselective Baeyer-Villiger oxidation. (-)-Acetylaranotin is obtained in 22 steps from commercially available...
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