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Effect of Methyl Substitution on Conformation and Molecular Arrangement of BEDT-TTF Derivatives in the Crystalline Environment

Two methylated bis(ethylenedithio)tetrathiafulvalene (ET) derivatives, Me2ET and Me4ET were stereoselectively synthesized to examine the effect of methylation on conformations of dihydrodithiin rings and molecular arrangements in the crystalline state.Since the donating ability of Me2ET and Me4ET are similar to that of ET, the methylated ET derivatives are considered to be appropriate to investigate the “lattice pressure” effect on ET radical salts by changing the volume of donor molecules.The upper limit of an activation energy for the ring inversion of the dimethylated dihydrodithiin in solution was estimated to be 32 kJ mol-1 by 13C NMR spectroscopy.The X-ray structure analyses revealed that orientations of methyl groups are fixed to axial in Me2ET and to equatorial in Me4ET, accompanied by the change of molecular stacking.The “volume of a methyl group” was evaluated by comparing the molecular volumes of Me2ET and Me4ET with that of ET, and the effective volume for the axial methyl group turns out to be 15percent larger than that of the equatorial.The solid state 13C NMR (CP/MAS) spectra of ET and its derivatives showed that the chemical shifts of resonance lines reflect the conformations of dihydrodithiin rings in crystals.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Reference of 538-58-9, 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.538-58-9, Name is 1,5-Diphenylpenta-1,4-dien-3-one, molecular formula is C17H14O. In a article£¬once mentioned of 538-58-9

THE PALLADIUM-CATALYSED CONJUGATE ADDITION TYPE REACTION OF ARYLMERCURY COMPOUNDS WITH alpha,beta-UNSATURATED KETONES IN A TWO-PHASE SYSTEM

Pd-catalysed reaction of arylmercury compounds with alpha,beta-enones in an acidic two-phase system provides a mild and selective way to beta-aryl ketones.The present conjugate addition type reaction may accomodate a wide variety of functional groups.Thus, aryl units containing electron-donating and electron-withdrawing substituents such as -Me, -Cl, -CHO, -COMe, -COOMe, -COOH, -OH, -OMe, -NHCOMe and NO2 were succesfully transfered to the beta C atom of benzalacetone.A number of alpha,beta-enones were also treated with 3-formylphenyl mercury chloride to give the corresponding beta-(3-formylphenyl) derivatives.The main limitation seems to arise from steric hindrance in the starting alpha,beta-enonic system.Substituents in the aryl moiety of the organomercury compounds were found to affect the transmetalation steps in the direction expected for a rate determining ?-complex formation.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Helical twisting properties of new chiral dopants with double (S)-1,2-propanediol units for nematic liquid crystals

A novel series of chiral dopants synthesized from (S)-1,2-propanediol and mesogenic carboxylic acids were characterized by FT-IR, 1H NMR, elemental analysis and their helical twisting properties were investigated by doping the chiral dopants into a nematic liquid crystal host (SLC-1717). The results show that, the helical pitch of N*-LC mixture exhibited a terminal alkyl chain length dependence and the molecular twisting power beta also exhibited a temperature dependence (increasing beta with increasing temperature).

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Related Products of 24621-61-2, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 24621-61-2, Name is (S)-Butane-1,3-diol, molecular formula is C4H10O2. In a Article£¬once mentioned of 24621-61-2

Synthesis of 6-membered cyclic carbonates from 1,3-diols and low CO2 pressure: A novel mild strategy to replace phosgene reagents

Low pressure carbon dioxide is used as the carbonation agent in a simple, safe and efficient procedure for the synthesis of 6-membered cyclic carbonates from 1,3-diols. Using readily available reagents and proceeding at room temperature, this route offers a novel mild alternative to phosgene derivatives.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Synthesis, biodistribution, and primate imaging of fluorine-18 labeled 2beta-carbo-1′-fluoro-2-propoxy-3beta-(4-chlorophenyl)tropanes. Ligands for the imaging of dopamine transporters by positron emission tomography

2beta-(R)-Carbo-1-fluoro-2-propoxy-3beta-(4-chlorophenyl)tropane ((R)-FIPCT, R-6) and 2beta-(S)-carbo-1-fluoro-2-propoxy-3beta-(4-chlorophenyl)tropane ((S)- FIPCT, S-6) were prepared and evaluated in vitro and in vivo for dopamine transporter (DAT) selectivity and specificity. High specific activity [18F](R)-FIPCT and [18F](S)-FIPCT were synthesized in 5% radiochemical yield (decay-corrected to end of bombardment (EOB)) by preparation of the precursors 2beta-carbo-R-1-mesyloxy-2-propoxy-3beta-(4-chlorophenyl)tropane (R- 12) and 2beta-carbo-S-1-mesyloxy-2-propoxy-3beta-(4-chlorophenyl)tropane (S-12) followed by treatment with no carrier-added potassium[18F]-fluoride and kyrptofix K222 in acetonitrile. Competition binding in cells stably expressing the transfected human DAT and serotonin transporter (SERT) labeled by [3]WIN 35428 and [3H]-citalopram, respectively, demonstrated the following order of DAT affinity (K(i) in nM): GBR 12909 (0.36) > CIT (0.48) > (S)-FIPCT (0.67) >> (R)-FIPCT (3.2). The affinity of (S)-FIPCT and (R)-FIPCT for SERT was 127- and 20-fold lower, respectively, than for DAT. In vivo biodistribution studies were performed in male rats and demonstrated that the brain uptake of [18F](R)-FIPCT and [18F](S)-FIPCT were selective and specific for DAT rich regions (caudate and putamen). PET brain imaging studies in monkeys demonstrated high [18F](R)-FIPCT and [18F](S)-FIPCT uptake in the caudate and putamen which resulted in caudate-to-cerebellum and putamen-to-cerebellum ratios of 2.5-3.5 at 115 min. [18F](R)-FIPCT uptake in the caudate/putamen achieved transient equilibrium at 75 min. In an imaging experiment with [18F](S)-FIPCT in a rhesus monkey with its left hemisphere lesioned with MPTP, radioactivity was reduced to background in the caudate and putamen of the lesioned hemisphere. The high specific activity one-step radiolabeling preparation and high specificity and selectivity of [18F](R)-FIPCT and [18F](S)-FIPCT for DAT indicate [18F](R)-FIPCT and [18F](S)-FIPCT are potential radioligands for mapping brain DAT in humans using PET.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Sorption and selective chromatographic properties of isomer-selective composite sorbent based on a eutectic mixture of nematic liquid crystals and perbenzoylated beta-cyclodextrin

Mesomorphic, sorption, and selective properties of a three-component sorbent based on a mixture of nematic (N) liquid crystals of 4-methoxy-4?-ethoxyazoxybenzene (MEAB) and 4,4?-diethoxyazoxybenzene (azoxyphenetol, AOP) of an eutectic composition and heptakis-(2,3,6-tri-O-benzoyl)-beta-cyclodextrin (Bz-beta-CD) are studied. For 30 organic compounds of different classes with linear and cyclic molecular structures, including optical isomers of limonene, pinene, camphene, and butanediol-2,3, thermodynamic functions are determined for their gas-phase sorption using a three-component MEAB-AOP-Bz-beta- CD sorbent (62: 28: 10 wt %). It is found that the investigated sorbent possesses high structural selectivity (alphap/m = 1.128-1.059, 100-130C, N) and moderate enantioselectivity (1.07-1.02) within a broad temperature range (95-170C) including both mesomorphic and isotropic phases of the sorbent. It is shown that the enantioselectivity of the sorbent is apparent under conditions of both increasing retention when a chiral Bz-beta-CD additive is introduced into the MEAB-AOP system (limonenes, pinenes, camphenes) and decreasing retention (butanediols-2,3).

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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The bakers’ yeast reductions of alpha- and beta-keto ester derivatives in the presence of a sulfur compound

Improvement of the enantioselectivity and enhancement of the reactivity were achieved in the bakers’ yeast reduction of the alpha- and beta-keto ester derivatives by the addition of a sulfur compound. High enantioselectivity in the bakers’ yeast reduction of keto esters was accomplished by using combination of an addition of a sulfur compound with an appropriate selection of the alcohol part of the ester.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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Semisynthetic Maytansine analogues for the targeted treatment of cancer

Maytansine, a highly cytotoxic natural product, failed as an anticancer agent in human clinical trials because of unacceptable systemic toxicity. The potent cell killing ability of maytansine can be used in a targeted delivery approach for the selective destruction of cancer cells. A series of new maytansinoids, bearing a disulfide or thiol substituent were synthesized. The chain length of the ester side chain and the degree of steric hindrance on the carbon atom bearing the thiol substituent were varied. Several of these maytansinoids were found to be even more potent in vitro than maytansine. The targeted delivery of these maytansinoids, using monoclonal antibodies, resulted in a high, specific killing of the targeted cells in vitro and remarkable antitumor activity in vivo.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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A new twisted dual hydrogen bond acceptor featuring amidine functionality for chiral recognition: A high level of enantioselection of diol derivatives

The C2 amidine derivative (S,S)-1, as a twisted chiral dual acceptor for hydrogen bonding, was designed and synthesized. Enantioselective binding between (S,S)-1 and a series of diol enantiomers was investigated by NMR spectroscopy. High enantioselection above 1.0 kcal/mol was achieved in CDCl3. The association mode based on dual N¡¤¡¤¡¤HO interactions was confirmed by intermolecular NOEs.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate

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First synthesis of gamma,gamma?-diphosphonylketones and their reactivity in the fischer reaction

Two synthetic methods leading to the new gamma,gamma?-diphosphonylketones 2 and 2? are reported. The first method involves the base-catalyzed addition of diethylphosphite to diarylideneketones. The second one utilizes the reaction of triethylphosphite and ethoxydiphenylphosphine with beta,beta?-bis(dimethylamino)ketone hydrochlorides. On reaction with phenylhydrazine hydrochloride, compounds 2 and 2? give the corresponding 2-(phosphonoethyl)3-(phosphonomethyl)indoles 3. The structure of all obtained products is confirmed by NMR (1H, 31p, 13C) and IR spectroscopy.

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Reference£º
Synthesis and Crystal Structure of a Chiral?C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur¨Cnitrogen¨Coxygen ligand derived from aminothiourea and sodium?D-camphor-¦Â-sulfonate