Extended knowledge of 108-47-4

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Trifluoromethyl benzyl alcohol as a “shift reagent” in ion mobility spectrometry: The effect of intramolecular bridges, ion size and shift reagent-ion binding energy in ion mobility

alpha-Trifluoromethyl benzyl alcohol (F) was introduced as a “shift reagent” in the buffer gas of an electrospray ionization ion mobility spectrometer coupled to a quadrupole mass spectrometer to explain the mobility shifts of selected compounds; ion mobilities depended on ion sizes and F-ion adducts binding energies calculated using Gaussian 09 at the X3LYP/6-311++G(d,p) level. The mobility shifts with the introduction of F in the buffer gas were: – 13% (ethanolamine), – 10.6% (serine), – 8.6% (threonine), – 7.3% (phenylalanine), – 7.0% (tyrosine), – 6.2 (tributylamine), – 5.1% (valinol), – 4.7% (methionine), – 3.9% (tryptophan), – 3.1% (tribenzylamine), – 1.3% (2,6-di-tert-butyl pyridine, DTBP), – 1.2% (2,4-lutidine, 2,4-dimethyl pyridine), and – 0.1% (atenolol). These mobility shifts showed a decreasing trend with the increase in molecular weight from ethanolamine to tribenzylamine excluding some ions due to steric hindrance (2,4-lutidine, DTBP and tetraalkylammonium ions), formation of intramolecular bridges (atenolol and methionine) or low binding energy with F (valinol). Ethanolamine (61.1 g/mol) showed the largest mobility shift (- 13%) due to its low molecular weight and tribenzylamine showed the smallest one due to its large size. We found a similar trend in mobility shifts when methyl chloro propionate, trifluoromethyl benzyl alcohol, ethyl lactate, nitrobenzene or 2-butanol were used as SRs. We also found that penicillamine adducts with F were not seen in the mass or mobility spectra probably because of the formation of an intramolecular bridge in this compound; F produced the average lowest mobility shifts of all SRs tried before, even of smaller size (methyl chloro propionate, phenylethanol, ethyl lactate, nitrobenzene, and 2-butanol) because of the inductive effects exerted by the three fluorine atoms that decreased F proton affinity and hindered its adduction to analyte ions. In summary, intramolecular bridges, size, inductive effects, steric hindrance and adduct binding energy were used to explain mobility shifts when trifluoromethyl benzyl alcohol was used as a “shift reagent” in ion mobility spectrometry.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Discovery of 2,4-Dimethylpyridine

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Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure

A novel class of therapeutic drug candidates for heart failure, highly potent and selective GRK2 inhibitors, exhibit potentiation of beta-adrenergic signaling in vitro studies. Hydrazone derivative 5 and 1,2,4-triazole derivative 24a were identified as hit compounds by HTS. New scaffold generation and SAR studies of all parts resulted in a 4-methyl-1,2,4-triazole derivative with an N-benzylcarboxamide moiety with highly potent activity toward GRK2 and selectivity over other kinases. In terms of subtype selectivity, these compounds showed enough selectivity against GRK1, 5, 6, and 7 with almost equipotent inhibition to GRK3. Our medicinal chemistry efforts led to the discovery of 115h (GRK2 IC50 = 18 nM), which was obtained the cocrystal structure with human GRK2 and an inhibitor of GRK2 that potentiates beta-adrenergic receptor (betaAR)-mediated cAMP accumulation and prevents internalization of betaARs in beta2AR-expressing HEK293 cells treated with isoproterenol. Therefore, 115h appears to be a novel class of therapeutic for heart failure treatment.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Final Thoughts on Chemistry for 108-47-4

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Application of 108-47-4, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N. In a article£¬once mentioned of 108-47-4

Low-voltage electrically-enhanced microextraction as a novel technique for simultaneous extraction of acidic and basic drugs from biological fluids

In the present work, for the first time a new set-up was presented for simultaneous extraction of acidic and basic drugs using a recent novel electrically-enhanced microextraction technique, termed electromembrane extraction at low voltages followed by high performance liquid chromatography with ultraviolet detection. Nalmefene (NAL) as a basic drug and diclofenac (DIC) as an acidic drug were extracted from 24mL aqueous sample solutions at neutral pH into 10muL of each acidified (HCl 50mM) and basic (NaOH 50mM) acceptor solution, respectively. Supported liquid membranes including 2-nitrophenyl octyl ether containing 5% di-(2-ethylhexyl) phosphate and 1-octanol were used to ensure efficient extraction of NAL and DIC, respectively. Low voltage of 40V was applied over the SLMs during 14min extraction time. The influences of fundamental parameters affecting the transport of target drugs were optimized using experimental design. Under optimal conditions, NAL and DIC were extracted with extraction recoveries of 12.5 and 14.6, respectively, which corresponded to preconcentration factors of 300 and 350, respectively. The proposed technique provided good linearity with correlation coefficient values higher than 0.9956 over a concentration range of 8-500mugL-1 and 12-500mugL-1 for NAL and DIC, respectively. Limits of detection and quantifications, and intra-day precisions (n=3) were less than 4mugL-1, 12mugL-1, and 10.1%, respectively. Extraction and determination of NAL and DIC in human urine samples were successfully performed. In light of the data obtained in the present work, this new set-up for EME with low voltages has a future potential as a simple, selective, and fast sample preparation technique for simultaneous extraction and determination of acidic and basic drugs in different complicated matrices.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Brief introduction of (S)-N,N-Dimethyl-1-ferrocenylethylamine

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Chemistry is traditionally divided into organic and inorganic chemistry. name: (S)-N,N-Dimethyl-1-ferrocenylethylamine, The former is the study of compounds containing at least one carbon-hydrogen bonds.In a patent£¬Which mentioned a new discovery about 31886-57-4

A (S)-1 – ferrocene ethyl dimethylamine preparation process (by machine translation)

The invention discloses a (S)- 1 – ferrocene ethyl dimethylamine preparation process. In the preparation process, in order to acetyl ferrocene as raw materials, the use of metal Ir complex with a chiral ferrocenyl tridentate ligands L* The reaction complex as a catalyst, by asymmetric catalytic hydrogenation to obtain (S)- 1 – ferrocenyl ethanol, then acetylation, dimethylamine substituted reaction, to obtain (S)- 1 – ferrocene ethyl dimethylamine. With the traditional chiral separating method preparation (S)- 1 – ferrocene ethyl dimethylamine processes of the prior art, the invention has the advantages embodied in: mild reaction conditions, the operation is simple, stereoselectivity is good, high yield, production cycle is short, the amount “three wastes”, easy industrialization, having great value and social and economic benefits. (by machine translation)

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Top Picks: new discover of 2,4-Dimethylpyridine

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Synthetic Route of 108-47-4, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 108-47-4, molcular formula is C7H9N, introducing its new discovery.

Fe(PyTACN)-catalyzed cis-dihydroxylation of olefins with hydrogen peroxide

A family of iron complexes with general formula [Fe(II)( R,Y,XPyTACN)(CF3SO3)2], where R,Y,XPyTACN=1-[2?-(4-Y-6-X-pyridyl)methyl]-4,7-dialkyl-1,4, 7-triazacyclononane, X and Y refer to the groups at positions 4 and 6 of the pyridine, respectively, and R refers to the alkyl substitution at N-4 and N-7 of the triazacyclononane ring, are shown to be catalysts for efficient and selective alkene oxidation (epoxidation and cis-dihydroxylation) employing hydrogen peroxide as oxidant. Complex [Fe(II)(Me,Me,HPyTACN)(CF 3SO3)2] (7), was identified as the most efficient and selective cis-dihydroxylation catalyst among the family. The high activity of 7 allows the oxidation of alkenes to proceed rapidly (30 min) at room temperature and under conditions where the olefin is not used in large amounts but instead is the limiting reagent. In the presence of 3 mol% of 7, 2 equiv. of H2O2 as oxidant and 15 equiv. of water, in acetonitrile solution, alkenes are cis-dihydroxylated reaching yields that might be interesting for synthetic purposes. Competition experiments show that 7 exhibits preferential selectivity towards the oxidation of cis olefins over the trans analogues, and also affords better yields and high [syn-diol]/[epoxide] ratios when cis olefins are oxidized. For aliphatic substrates, reaction yields attained with the present system compare favourably with state of the art Fe-catalyzed cis-dihydroxylation systems, and it can be regarded as an attractive complement to the iron and manganese systems described recently and which show optimum activity against electron-deficient and aromatic olefins. Copyright

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Extracurricular laboratory:new discovery of 126456-43-7

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Reference of 126456-43-7, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.126456-43-7, Name is (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, molecular formula is C9H11NO. In a Patent£¬once mentioned of 126456-43-7

Heterocyclic Compound

The present invention provides a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof. The compound of the present invention shows a strong IAP antagonistic activity.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

More research is needed about 108-47-4

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108-47-4, Name is 2,4-Dimethylpyridine, belongs to chiral-nitrogen-ligands compound, is a common compound. Formula: C7H9NIn an article, once mentioned the new application about 108-47-4.

COMPOSITIONS AND METHODS FOR THE ATTRACTION AND REPULSION OF INSECTS

The present invention provides insect attractants and repellents as well as methods of trapping and/or altering the behavioral patterns of vector pests such as mosquitoes and other hematophagous pests.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Extended knowledge of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol

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Related Products of 126456-43-7, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.126456-43-7, Name is (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, molecular formula is C9H11NO. In a article£¬once mentioned of 126456-43-7

CHIRALITY SENSING WITH MOLECULAR CLICK CHEMISTRY PROBES

The present invention relates to an analytical method that includes providing a sample potentially containing a chiral analyte that can exist in stereoisomeric forms, and providing a probe selected from the group consisting of coumarin-derived Michael acceptors, dinitrofluoroarenes and analogs thereof, arylsulfonyl chlorides and analogs thereof, arylchlorophosphines and analogs thereof, aryl halophosphites, and halodiazaphosphites. The sample is contacted with the probe under conditions to permit covalent binding of the probe to the analyte, if present in the sample; and, based on any binding that occurs, the absolute configuration of the analyte in the sample, and/or the concentration of the analyte in the sample, and/or the enantiomeric composition of the analyte in the sample is/are determined. The probe may be a coumarin-derived Michael acceptor, a di nitrofluoroarene or analog thereof, an arylsulfonyl chloride or analog thereof, an arylchlorophosphine or analog thereof, an aryl halophosphite, or a halodiazaphosphite.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

The important role of 108-47-4

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Computed Properties of C7H9N, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N

NMR detection of living intermediates prepared from activated [NON]ZrMe2 ([NON]2-=[(t-Bu-d6-N-o-C6H4) 2O]2-) and olefins

The 13C-NMR spectrum of {[NON]Zr(13CH3)(S)}+ (S=bromobenzene-d5) after addition of one equivalent of 1-hexene reveals resonances at 30.8 ppm for the terminal 13CH3 group in the first insertion product, at 24.0 ppm for the terminal 13CH3 group in the second insertion product and near 20 ppm for the terminal 13CH3 group in higher insertion products. The latter are consistent with ‘insertion’ of the 1-hexene into the Zr-CH3 bond in a 1,2 manner. Addition of ten equivalents of 1-nonene to {[NON]Zr(CH3)(S)}+ followed by one equivalent of 13CH2=CHC7H15 led to a 13C-NMR spectrum consistent with formation of {[NON]Zr[13CH2CH(C7H 15)(Polymer)](S)}+, which confirms that 1-nonene ‘inserts’ into the Zr-C bond primarily in a 1,2 fashion. A discussion as to why beta elimination is relatively slow in {[NON]Zr(R)(S)}+ systems that have been examined so far focuses on reversible addition of a terminal olefin only to the CNN face of the pseudo-tetrahedral cation, {[NON]Zr(R)}+, to yield a trigonal bipyramidal transition state. After the equatorial alkyl group migrates to the substituted carbon of the incoming olefin, the new bulky alkyl in {[NON]Zr(CH2CHPR?)}+ cannot ‘back up’ toward the two t-butyl groups in preparation for beta elimination relative to the rate at which {[NON]Zr(CH2CHPR?)}+ reacts with either base or more olefin.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Brief introduction of 108-47-4

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One of the major reasons for studying chemical kinetics is to use measurements of the macroscopic properties of a system, Formula: C7H9N, such as the rate of change in the concentration of reactants or products with time.In a article, mentioned the application of 108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N

Medium-Resolution Mass Spectrometry as a Nitrogen Compound Specific Detector

A gas chromatograph or a direct-insertion probe interfaced to a medium-resolution mass spectrometer set at about 3000 resolution is used in the multiple ion detection (MID) mode to monitor the intensity of the CH2N+ ion at m/q 28.This configuration converts the system into a nitrogen compound specific detector.Practicability of this system in terms of levels of detection, quantitation, etc., is demonstrated by use of authentic nitrogen compound mixtures, gasolines, and coals.The sinificance of CO+ and C2H4+ ion monitoring, also found at m/q 28, is discussed.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis