Archives for Chemistry Experiments of (S)-Propane-1,2-diol

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Double-cuvette ISES: In situ estimation of enantioselectivity and relative rate for catalyst screening

Described is a new method for the screening of an array of catalysts, in situ, to estimate enantioselectivity and relative rates. We term this approach “double-cuvette ISES (in situ enzymatic screening)”. The Co(III)-salen mediated hydrolytic kinetic resolution (HKR) of (¡À)-propylene oxide is used as a model reaction to demonstrate proof of principle. In two parallel cuvettes, a lower CHCl3-based organic layer is loaded with the epoxide and the chiral salen catalyst. Aqueous reporting layers, containing distinct “reporting enzymes” and their nicotinamide cofactors, are layered above the organic layers. The 1,2-propanediol enantiomers formed by the chiral catalyst diffuse into the aqueous layer and are oxidized there by the reporting enzymes at rates dependent upon the diol concentration, the R:S ratio of the diol, and the enantioselectivity of the reporting enzymes. A focused chiral salen library was constructed from seven chiral 1,2-diamines, derived from amino acid, terpenoid, and carbohydrates skeletons, and seven salicylaldehyde derivatives. Double-cuvette ISES identified a couple of interesting combinatorial hits in this salen array, wherein either the sense or magnitude of enantioselection for a given chiral diamine depends significantly upon the choice of “salicylaldehyde” partner. A comparison of predicted ee’s and relative rates using this new screening tool with those independently measured is provided. Copyright

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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

Archives for Chemistry Experiments of (S)-Propane-1,2-diol

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Catalytic Hydrogenation of Chiral alpha-Amino and alpha-Hydroxy Esters at Room Temperature with Nishimura Catalyst without Racemization

The hydrogenation of carboxylic acid derivatives at room temperature was investigated. With a mixed Rh/Pt oxide (Nishimura catalyst), low to medium activity was observed for various alpha-amino and alpha-hydroxy esters. At 100 bar hydrogen pressure and 10% catalysts loading, high yields of the desired amino alcohols and diols were obtained without racemization. The most suitable alpha-substituents were NH2, NHR, and OH, whereas beta-NH2 were less effective. Usually, aromatic rings were also hydrogenated, but with the free bases of amino acids as substrates, some selectivity was observed. No reaction was found for alpha-NR2, alpha-OR, and unfunctionalized esters; acids and amides were also not reduced under these conditions. A working hypothesis for the mode of action of the catalyst is presented.

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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

Extracurricular laboratory:new discovery of (S)-Propane-1,2-diol

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Carbamate-appended N-alkylsulfonamides as inhibitors of gamma-secretase

The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain Abeta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2.

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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

A new application about 24621-61-2

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167. Synthesis of Enantiomeric 3-Oxa-analogues of cis-Rose Oxide and of Some Sesquiterpenoid Homologues

The synthesis, spectral properties and sensory evaluation of chiral oxa-analogues of cis-rose oxide, and of eight corresponding sesquiterpenoid homologues, are described.

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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

Awesome and Easy Science Experiments about (2S,3S)-Butane-2,3-diol

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Concise enantioselective synthesis of abscisic acid and a new analogue

Short and high-yielding syntheses of enantiomerically pure (S)-(+) and (R)-(-)-abscisic acid are described. The syntheses proceed through key intermediates that preferentially recrystallise as single diastereoisomers for each enantiomer. This route allows the preparation of either enantiomer of abscisic acid in ca. 30% overall yield, and as demonstrated, gives access to an enantiomerically pure abscisic acid analogue. The Royal Society of Chemistry 2006.

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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

Properties and Exciting Facts About (S)-Propane-1,2-diol

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Synthesis and chiral recognition properties of two novel chiral calix[4]arene tartaric ester derivatives

Two new chiral calix[4]arene derivatives containing tartaric acid ester moieties were synthesized. The chiral calix[4]arenes are in a ‘cone’ conformation according to NMR spectroscopy. The chiral recognition capabilities of 1-4 toward the guests, 1,2-propanediol and serine methyl ester hydrochloride (SerOMe), were investigated (1H NMR spectroscopy). The extraction properties of compounds 1 and 2 toward selected alpha-amino acid methyl esters were also studied.

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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

Archives for Chemistry Experiments of (S)-Propane-1,2-diol

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A chemical/computational approach to the determination of absolute configuration of flexible and transparent molecules: Aliphatic diols as a case study

(Graph Presented) By reacting flexible and optically transparent in UV-vis molecules such as 1,2-, syn- and anti-1,3-diols, 1,3-sulfanylalcohols of known absolute configuration (AC) with fluorenone dimethyl acetal, the corresponding ketals are obtained. They are conformationally well-defined (only one conformer in most cases) compounds exhibiting medium-high optical rotation (OR) values, which are independent of the solvent, and electronic circular dichroism (ECD) spectra, which show several (up to five) Cotton effects in the 350-200 nm range due to valence shell pi?pi* transitions. These features allow simulation of the chiroptical properties of these compounds at the TDDFT/B3LYP/6-31G* level of theory to obtain, using the known ACs of these compounds, a satisfactory reproduction of the OR values (sign and order of magnitude; quantitatively, the predicted values are twice the experimental ones), and a more than satisfactory reproduction of the ECD spectra (sign, intensity, and position of the lowest-energy four Cotton effects) for all the compounds studied. Therefore, this approach can be used to assign the AC of such flexible molecules, in particular, syn-1,3-diols, which are important substrates in organic synthesis and for which nonempirical methods of AC assignment have not been devised so far. Furthermore, since the fluorene chromophore leads to the presence of several Cotton effects from, say, 350 to 200 nm, their correct simulation of sign, intensity, and position is a guarantee of the correct assignment of AC: in this way, ECD spectroscopy gains the same advantages of VCD spectroscopy, that is, the need of reproducing many ECD bands and then a solid guarantee of a correct AC assignment.

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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

Awesome Chemistry Experiments For (2S,3S)-Butane-2,3-diol

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Related Products of 19132-06-0, 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.19132-06-0, Name is (2S,3S)-Butane-2,3-diol, molecular formula is C4H10O2. In a article£¬once mentioned of 19132-06-0

Energy Well of Diradicals, VII. – Conjugative-Stabilized Trimethylenemethane Derivatives. Geometry Dependance of the Singlet-Triplet Splitting

For the three 2,1′-bis-allyl diradicals 3-5 the singlet-triplet splitting has been determined by the oxygen-trapping technique.In agreement with theory the value for the planar diradical is large (>14 kcal*mol-1) whereas for the orthogonal geometry the energy gap is small (6.3 kcal*mol-1).In all cases a triplet groundstate is observed.From the rotational barrier of the exo methylene groups in 6 it is shown that the interconversion of the planar and orthogonal singlet states have activation barriers (6-9 kcal mol-1) which are responsible for their kinetic stability.In contrast to 6, where the formation of the orthogonal diradical proceeds by way of the planar diradical 3, the formation of the analogous orthogonal diradical 29 from homofulvene 17 is a concerted process.This difference is an important observation with respect to the fundamental understanding of concerted and non-concerted reactions. – Key Words: Diradicals / Gas-phase kinetics / Oxygen trapping / Dynamic gas chromatography / Rotational barrier, two-step

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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 and Morphology of New Discogenic Phthalocyanine Derivatives

New discogens based on the octasubstituted phthalocyanines (Pc) were synthesized: 2,3,9,10,16,17,23,24-octakis-phthalocyanine (1a), 2,3,9,10,16,17,23,24-octakis<4-(dodecylthio)-2-oxa-butyl>-phthalocyanine (1b), 2,3,9,10,16,17,23,24-octakis-phthalocyanine (1c), phthalocyanine 2,3,9,10,16,17,23,24-octa-n-dodecanoate (1d), S-(+)-2,3,9,10,16,17,23,24-octakis<4-(dodecyloxy)-2-oxa-pentyl>-phthalocyanine (1e), as well as their corresponding copper complexes (CuPc) 2a, 2b, 2c and 2e.They were characterized by microanalysis, IR, 1H and 13C NMR spectroscopies, and their mesomorphic behaviors were examined with DSC and optical microscopic methods.The products exhibited the following optical textures and transition temperature ranges: focal conic (1a, 95-267 grad; 2a, 108-304 grad), linear default (1b, 52-247 grad; 2b, 70-255 grad; 1c, 75-269 grad; 2c, 78-310 grad), fan-shaped (1d, 58-303 grad; 2e, 29-191 grad).Chiral discogenic PcH2 1e, however, showed a cholesteric-like texture (23-151 deg C) in which the transition of a platelet (blue phase) to a fan-shaped texture was observed.

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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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1H NMR Spectra and Conformations of Propane-1,2-diol, meso- and Racemic Butane-2,3-diols, and some Alditols in Non-aqueous Media

The solvent change low polar->protic->very polar aprotic causes a progressive change in the conformation of the three title diols towards the conformer with the two C-O bonds trans.Alditols in deuterium oxide have each hydroxymethyl group with the C-O bond extending the chain as the main conformer.In polar aprotic solvents the main conformer has the C-O bond trans to the adjacent C-O bond.The carbon chain conformation can be somewhat different in the two solvent types.

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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