Month: June 2021

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Cetyltrimethylammonium peroxodisulfate (CTA)2S2O 8 was quantitatively prepared and used for the deprotection of oximes, phenylhydrazones, semicarbazones and thiosemicarbazones to the corresponding carbonyl compounds in acetonitrile. Its agent is more efficient and has advantages over similar reagents in terms of the amount of oxidant, short reaction time, simple work up, and high yield.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Synthetic Route of 4254-15-3, New Advances in Chemical Research in 2021. The spectroscopic and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 4254-15-3, Name is (S)-Propane-1,2-diol, molecular formula is C3H8O2, belongs to chiral-oxygen-ligands compounds. In a Article，once mentioned of 4254-15-3

The lipase from Candida cylindracea catalyzes the enantioselective esterification of 2-hydroxy acids in nearly anhydrous organic solvents with primary alcohols as nucleophiles. The nature of the 2-hydroxy acid and organic reaction medium affects the efficiency of catalysis and the enantioselectivity. Straight-chain 2-hydroxy acids are highly reactive and give nearly 100% enantioselectivities in esterification reactions with 1-butanol. Slight branching with a methyl group adjacent to the 2-hydroxy moiety in toluene causes a substantial loss (up to 200-fold) in the lipase’s catalytic efficiency with a concomitant loss in enantioselectivity. Losses in catalytic efficiency and enantioselectivity are also observed when the lipase is employed in hydrophilic organic media such as dioxane or tetrahydrofuran as compared to hydrophobic solvents such as toluene. With straight-chain substrates, the lipase is over 100-fold more active in toluene than in tetrahydrofuran or dioxane, while optimal enantioselectivity is observed in toluene. The loss in enantioselectivity in hydrophilic solvents is mainly due to a drop in the catalytic efficiencies of the S isomers, as the R isomers’ catalytic efficiencies remain largely unchanged. In highly apolar solvents, such as cyclohexane, enantioselective relaxation occurs due to an increase in the reactivity of the R isomers relative to that of their S counterparts. These findings enabled a rational selection of substrates and solvents for a two-step, chemoenzymatic synthesis of optically active 1,2-diols to be carried out, the first step being the aforementioned enantioselective esterification of 2-hydroxy acids followed by reduction with LiAl(OCH3)3H to give the optically active 1,2-diol. Diols such as (S)-(+)-1,2-propanediol, (S)-(-)-1,2-butanediol, (S)-(-)-1,2-hexanediol, and (S)-(-)-4-methyl-1,2-pentanediol were produced in high optical purities (at least 98% enantiomeric excess (ee)).

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

New research progress on 4254-15-3 in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. Safety of (S)-Propane-1,2-diol, The former is the study of compounds containing at least one carbon-hydrogen bonds.In a patent，Which mentioned a new discovery about 4254-15-3

The inclusion of an azaspiroketal Mannich base in the membrane targeting antitubercular 6-methoxy-1-n-octyl-1H-indole scaffold resulted in analogs with improved selectivity and submicromolar activity against Mycobacterium tuberculosis H37Rv. The potency enhancing properties of the spiro-fused ring motif was affirmed by SAR and validated in a mouse model of tuberculosis. As expected for membrane inserting agents, the indolyl azaspiroketal Mannich bases perturbed phospholipid vesicles, permeabilized bacterial cells, and induced the mycobacterial cell envelope stress reporter promoter piniBAC. Surprisingly, their membrane disruptive effects did not appear to be associated with bacterial membrane depolarization. This profile was not uniquely associated with azaspiroketal Mannich bases but was characteristic of indolyl Mannich bases as a class. Whereas resistant mycobacteria could not be isolated for a less potent indolyl Mannich base, the more potent azaspiroketal analog displayed low spontaneous resistance mutation frequency of 10-8/CFU. This may indicate involvement of an additional envelope-related target in its mechanism of action.

This is the end of this tutorial post, and I hope it has helped your research about 4254-15-3 . Safety of (S)-Propane-1,2-diol

Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Reference of 4254-15-3, New Advances in Chemical Research in 2021. The spectroscopic and theoretical assessments of solvent structures and their interactions with reaction intermediates and transition states. 4254-15-3, Name is (S)-Propane-1,2-diol, molecular formula is C3H8O2, belongs to chiral-oxygen-ligands compounds. In a Article，once mentioned of 4254-15-3

An efficient synthesis of iso-cladospolide B and cladospolide B has been achieved using Jacobsen’s hydrolytic kinetic resolution (HKR), Sharpless asymmetric dihydroxylation and Yamaguchi macrolactonization as the key steps.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

New research progress on 538-58-9 in 2021. In classical electrochemical theory, both the electron transfer rate and the adsorption of reactants at the electrode control the electrochemical reaction. Product Details of 538-58-9, The former is the study of compounds containing at least one carbon-hydrogen bonds.In a patent，Which mentioned a new discovery about 538-58-9

The lowest energy singlet state in di-3-(N-ethylcarbazoylidene)acetone (dNECa), a luminescent model compound at room temperature for dibenzylidenecacetone (dba), has been assigned to a charge transfer (CT) state using the medium polarity effect on lambdamax(F) and fluorescence polarized spectra of dNECa at 77 K.The dNECa fluorescence quantum yields (phiF) and lifetimes (tauF) are solvent sensitive where both phiF and tauF tend to increase with polarity.The very weak and moderately structured phosphorescences have been located for the first time for both dba and dNECa in the 550-800 nm range and are also assigned to a CT state.In this case the CT interactions are less pronounced than lambda(0-0)P and taup are much less solvent sensitive.Finally, EHMO type calculations confirm that the CT transition is the lowest energy transition in dba and di-3-(N-methylindoylidene)acetone (a model compound for dNECa), but also suggest that the n?* state must lie near the CT state in dba.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

New research progress on 19132-06-0 in 2021.The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. Computed Properties of C4H10O2, The former is the study of compounds containing at least one carbon-hydrogen bonds.In a patent，Which mentioned a new discovery about 19132-06-0

A compound represented by the formula I STR1 wherein X is independently both F or both Cl or one X is independently F and the other is independently Cl; R1 is a straight or branched chain (C3 to C8) alkyl group substituted by one or two amino acid ester groups (e.g., an amino acid ester group convertible in vivo into a hydroxy group) thereof or a pharmaceutically acceptable salt thereof and pharmaceutical compositions thereof useful for treating and/or preventing fungal infections are disclosed.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

New Advances in Chemical Research, May 2021. The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic and spectroscopic. An article , which mentions category: chiral-oxygen-ligands, molecular formula is C3H8O2. The compound – (S)-Propane-1,2-diol played an important role in people’s production and life., category: chiral-oxygen-ligands

Disclosed herein are cannabinoid receptor ligands of formula (I) wherein A1 and Rx are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Synthetic Route of 4254-15-3, Chemical Research Letters, May 2021. The prevalence of solvent effects in heterogeneous catalysis in condensed media has motivated developing quantitative kinetic, spectroscopic. In a document type is Article, and a compound is mentioned, 4254-15-3, Name is (S)-Propane-1,2-diol, introducing its new discovery.

The hydrolytic kinetic resolution (HKR) of terminal epoxides catalyzed by chiral (salen)CoIII complex 1·OAc affords both recovered unreacted epoxide and 1,2-diol product in highly enantioenriched form. As such, the HKR provides general access to useful, highly enantioenriched chiral building blocks that are otherwise difficult to access, from inexpensive racemic materials. The reaction has several appealing features from a practical standpoint, including the use of H2O as a reactant and low loadings (0.2-2.0 mol %) of a recyclable, commercially available catalyst. In addition, the HKR displays extraordinary scope, as a wide assortment of sterically and electronically varied epoxides can be resolved to ? 99% ee. The corresponding 1,2-diols were produced in good-to-high enantiomeric excess using 0.45 equiv of H2O. Useful and general protocols are provided for the isolation of highly enantioenriched epoxides and diols, as well as for catalyst recovery and recycling. Selectivity factors (krel) were determined for the HKR reactions by measuring the product ee at ca. 20% conversion. In nearly all cases, krel values for the HKR exceed 50, and in several cases are well in excess of 200.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

New research progress on 19132-06-0 in 2021. The appropriate choice of redox mediator can avoid electrode passivation and overpotential, which strongly inhibit the efficient activation of substrates in electrolysis. Recommanded Product: 19132-06-0, The former is the study of compounds containing at least one carbon-hydrogen bonds.In a patent，Which mentioned a new discovery about 19132-06-0

A series of optically active cis-3 bis-adducts, such as (R.R.fC)-16 (Scheme 6), was obtained regio- and diastereoselectively by Bingel macrocyclization of C60 with bis-malonates, which contain optically active tethers derived from 1.2-diols. The absolute configuration of the inherently chiral addition pattern in cis-3 bis-adducts had previously been determined by comparison of calculated and experimental circular dichroism (CD) spectra. Full confirmation of these earlier assignments was now obtained by an independent method based on semiempirical AM1 (‘Austin Model 1’) and OM2 (‘Orthogonalization Method 2’) calculations combined with 1H-NMR spectroscopy. It was found computationally that bis-malonates [CHR(OCOCH2COOEt)]2, which contain (R.R)- or (S.S)-butane-2.3-diol derivatives as optically active tethers, preferentially form out-out cis-3 bis-adducts of C60 as a single diastereoisomer in which the alkyl groups R adopt a gauche conformation, while the two glycolic H-atoms are in an antiperiplanar (ap) and the ester linkages to the fullerene in a gauche relationship (Figs. 2 and 5). In contrast, in the less favorable diastereoisomer, which should not form, the alkyl groups R adopt an ap and the H-atoms a gauche conformation, while the ester bridges to the fullerene remain, for geometric reasons, locked in a gauche conformation. According to the OM2 calculations, the geometry of the fully staggered tether in the free bis-malonates closely resembles the conformation of the tether fragment in the bis-adducts formed. These computational predictions were confirmed experimentally by the measurement of the coupling constant between the vicinal glycolic H-atoms in the 1H-NMR spectrum. For (R,R,fC)-16, 3J(H,H) was determined as 7.9 Hz, in agreement with the ap conformation, and in combination with the calculations, this allowed assignment of the fC-configuration to the inherently chiral addition pattern. This conformational analysis was further supported by the regio- and diastereoselective synthesis of cis-3 bis-adducts from bis-malonates, including tethers derived from cyclic glycol units with a fixed gauche conformation of the alkyl residues R at the glycolic C-atoms. Thus, a bis-malonate of (R,R)-cyclohexane-1.2-diol provided exclusively cis-3 bis-adduct (R,R.fC)-20 in 32% yield (Scheme 7). Incorporation of a tether derived from methyl 4,6-O.O-benzylidene-a-D-glucopyranoside into the bis-malonate and Bingel macrocyclization diastereoselectively produced the cis-3 stereoisomer (a.D.fA)-22 (Scheme 8) as the only macrocyclic bis-adduct. If the geometry of the alkyl groups R at the glycolic C-atoms of the tether component deviates from a gauche relationship, as in the case of tethers derived from exo cis- and trans-norbornane-2.3-diol or from trans-cyclopentane-1.2-diol, hardly any macrocyclic product is formed (Schemes 5 and 9). The absolute configurations of the various optically active cis-3 bis-adducts were also assigned by comparison of their CD spectra, which are dominated by the chiroptical contributions of the inherently chiral fullerene chromophore (Figs. 1, 3, and 4). A strong chiral exciton coupling was observed for optically active macrocyclic cis-3 bis-adducts of C60 with two appended 4-(dimethylamino)benzoate ((S.SfC)-26; Fig. 6) or meso-tetraphenylporphyrin ((R.R.fC)-28: Fig. 7) chromophores. Chiral exciton coupling between two fullerene chromophores was observed for the first time in the CD spectrum of the threitol-bridged bis-fullerene (R.R)-35 (Fig. 9).

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate

Application of 538-58-9, New research progress on 538-58-9 in 2021. Redox catalysis has been broadly utilized in electrochemical synthesis due to its kinetic advantages over direct electrolysis. 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

A reagent system of 1-alkyne, SnCl4, and Bu3N alkynylates aldehydes, acetals,and enones under mild reaction conditions giving acetylenic alcohols, acetylenic ethers, and acetylenic ketones, respectively, in high yields.Alkynyltrichlorotins are shown to be the reactive species for these reactions.

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Reference：
Synthesis and Crystal Structure of a Chiral C3-Symmetric Oxygen Tripodal Ligand and Its Applications to Asymmetric Catalysis,
Chiral lanthanide(III) complexes of sulphur–nitrogen–oxygen ligand derived from aminothiourea and sodium D-camphor-β-sulfonate