Category: ruthenium-catalysts

Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 2407-11-6, is researched, Molecular C7H3ClN2O2S, about Glycosyl 6-nitro-2-benzothiazoate. A highly efficient donor for β-stereoselective glycosylation, the main research direction is glycosyl nitro benzothiazoate donor stereoselective glycosylation; oligosaccharide preparation stereoselective glycosylation.Computed Properties of C7H3ClN2O2S.

Highly β-stereoselective glycosylations of glycosyl acceptors having a primary hydroxyl group by using a novel glycosyl donor, α-glycosyl 6-nitro-2-benzothiazoate (I), proceeded smoothly in the presence of a catalytic amount of trifluoromethanesulfonic acid (TfOH) in CH2Cl2 at -78°C to afford the corresponding glycosides in high yields. I gave β-saccharides more dominantly compared with those using other α-glycosyl donors such as thioform- and trichloroacetimidates or fluoride under the same conditions.

As far as I know, this compound(2407-11-6)Computed Properties of C7H3ClN2O2S can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Bromopropanenitrile(SMILESS: CC(Br)C#N,cas:19481-82-4) is researched.Computed Properties of C7H3ClN2O2S. The article 《Ab Initio Evaluation of the Thermodynamic and Electrochemical Properties of Alkyl Halides and Radicals and Their Mechanistic Implications for Atom Transfer Radical Polymerization》 in relation to this compound, is published in Journal of the American Chemical Society. Let’s take a look at the latest research on this compound (cas:19481-82-4).

High-level ab initio MO calculations were used to study the thermodn. and electrochem. parameters relevant to the mechanism of atom transfer radical polymerization (ATRP). Homolytic bond dissociation energy (BDE) and standard reduction potential (SRP) were calculated for a series of alkyl halides (R-X; R = CH2CN, CH(CH3)CN, C(CH3)2CN, CH2COOC2H5, CH(CH3)COOCH3, C(CH3)2COOCH3, C(CH3)2COOC2H5, CH2Ph, CH(CH3)Ph, CH(CH3)Cl, CH(CH3)OCOCH3, CH(Ph)COOCH3, SO2Ph, Ph; X = Cl, Br, I) both in the gas phase and in two common organic solvents, acetonitrile and DMF. The SRP of the corresponding alkyl radicals, R•, was also examined The computational results are in a good agreement with the exptl. data. For all alkyl halides examined, , in the solution phase, one-electron reduction results in the fragmentation of the R-X bond to the corresponding alkyl radical and halide anion; a hypothetical outer-sphere electron transfer (OSET) in ATRP should occur via concerted dissociative electron transfer rather than a two-step process with radical anion intermediates. Both the homolytic and heterolytic reactions are favored by electron-withdrawing substituents and/or those that stabilize the product alkyl radical, which explains why monomers such as acrylonitrile and styrene require less active ATRP catalysts than vinyl chloride and vinyl acetate. The rate constant of the hypothetical OSET reaction between bromoacetonitrile and CuI/TPMA (tris[(2-pyridyl)methyl]amine) complex was estimated using Marcus theory for the electron-transfer processes. The estimated rate constant kOSET = ∼10-11 M-1 s-1 is significantly smaller than the exptl. measured activation rate constant (kISET = ∼82 M-1 s-1 at 25° in acetonitrile) for the concerted atom transfer mechanism (inner-sphere electron transfer, ISET), implying that the ISET mechanism is preferred. For monomers bearing electron-withdrawing groups, the one-electron reduction of the propagating alkyl radical to the carbanion is thermodynamically and kinetically favored over the one-electron reduction of the corresponding alkyl halide unless the monomer bears strong radical-stabilizing groups. Thus, for monomers such as acrylates, catalysts favoring ISET over OSET are required to avoid chain-breaking side reactions.

As far as I know, this compound(19481-82-4)Application In Synthesis of 2-Bromopropanenitrile can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Visible Light-Mediated (Hetero)aryl Amination Using Ni(II) Salts and Photoredox Catalysis in Flow: A Synthesis of Tetracaine, published in 2020-03-06, which mentions a compound: 60804-74-2, mainly applied to amine aryl halides amination nickel ruthenium photoredox catalyst light; secondary aryl amine preparation; tetracaine preparation, Formula: C30H24F12N6P2Ru.

We report a visible light-mediated flow process for C-N cross-coupling of (hetero)aryl halides with a variety of amine coupling partners through the use of a photoredox/nickel dual catalyst system. Compared to the method in batch, this flow process enables a broader substrate scope, including less-activated (hetero)aryl bromides and electron-deficient (hetero)aryl chlorides, and significantly reduced reaction times (10 to 100 min). Furthermore, scale up of the reaction, demonstrated through the synthesis of tetracaine, is easily achieved, delivering the C-N cross-coupled products in consistently high yield of 84% on up to a 10 mmol scale.

As far as I know, this compound(60804-74-2)Formula: C30H24F12N6P2Ru can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

HPLC of Formula: 19481-82-4. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2-Bromopropanenitrile, is researched, Molecular C3H4BrN, CAS is 19481-82-4, about Use of Yb-based catalyst for AGET ATRP of acrylonitrile to simultaneously control molecular mass distribution and tacticity. Author is Ma, Jing; Chen, Hou; Zhang, Min; Wang, Chunhua; Zhang, Ying; Qu, Rongjun.

Yb-based catalyst was used for the first time for atom transfer radical polymerization using activators generated by electron transfer (AGET ATRP) of acrylonitrile (AN) with 2-bromopropionitrile (BPN) as initiator, 2, 2′-bipyridine (bipy) as ligand, and tin(II) bis(2-ethylhexanoate) (Sn(EH)2) as reducing agent in the presence of air. With respect to AGET ATRP of AN catalyzed by CuBr2, an evident increase of polymer tacticity was observed for AGET ATRP of AN. The increase of syndiotacticity became more and more pronounced than the increase of isotacticity of polyacrylonitrile (PAN) along with YbBr3 content. The block copolymer PAN-b-PMMA with mol. weight at 60,000 and polydispersity at 1.36 was successfully prepared

As far as I know, this compound(19481-82-4)HPLC of Formula: 19481-82-4 can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Application of 19481-82-4. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 2-Bromopropanenitrile, is researched, Molecular C3H4BrN, CAS is 19481-82-4, about Potential Energy Surfaces for Gas-Phase SN2 Reactions Involving Nitriles and Substituted Nitriles. Author is Fridgen, Travis D.; Burkell, Jami L.; Wilsily, Ashraf N.; Braun, Vicki; Wasylycia, Josh; McMahon, Terry B..

The stationary points on the potential energy surfaces for a number of gas-phase SN2 reactions have been determined using a combination of pulsed ionization high-pressure mass spectrometry. MP2/6-311++G**//B3LYP/6-311+G** calculations are shown to provide excellent agreement with the exptl. determined values, providing confidence for the use of this computational method to predict values that are not available exptl. The binding in the halide/nitrile complexes has been described in the past as either hydrogen bonding or electrostatic bonding. The trends in the binding energies observed here, though, cannot be rationalized in terms of simply hydrogen bonding or ion-dipole bonding but a mixture of the two. The computed structures support the description of binding as a mixture of hydrogen bonding and ion-dipole bonding.

As far as I know, this compound(19481-82-4)Application of 19481-82-4 can be applied in many ways, which is helpful for the development of experiments. Therefore many people are doing relevant researches.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Chiral Catalyst Controlled Diastereoselection and Regioselection in Intramolecular Carbon-Hydrogen Insertion Reactions of Diazoacetates》. Authors are Doyle, Michael P.; Kalinin, Alexey V.; Ene, Doina G..The article about the compound:Dirhodium(II) tetrakis(caprolactam)cas:138984-26-6,SMILESS:C12=O[Rh+2]3(O=C4[N-]5CCCCC4)([N-]6C(CCCCC6)=O7)[N-](CCCCC8)C8=O[Rh+2]357[N-]1CCCCC2).Synthetic Route of C24H40N4O4Rh2. Through the article, more information about this compound (cas:138984-26-6) is conveyed.

Individual enantiomers of substituted cyclohexyl diazoacetates or 2-octyl diazoacetates matched with a configurationally suitable chiral dirhodium(II) carboxamidate catalyst provide an effective methodol. for the synthesis of lactones with exceptional diastereo- and regiocontrol. Enantiomerically pure (1S,2R)-cis-2-methylcyclohexyl diazoacetate forms the all-cis-(1R,5R,9R)-9-methyl-2-oxabicyclo[4.3.0]nonan-3-one with complete diastereocontrol in reactions catalyzed by dirhodium(II) tetrakis[methyl 1-(3-phenylpropanoyl)-2-oxoimidazolidine-4(R)-carboxylate], Rh2(4(S)-MPPIM)4, but the configurational mismatch results in a mixture of products. The same diazoacetate produces (1S,5R)-5-methyl-2-oxabicyclo[4.3.0]nonan-3-one with virtually complete selectivity by catalysis with dirhodium(II) tetrakis[methyl 2-oxopyrrolidine-5(S)-carboxylate], Rh2(5(S)-MEPY)4. Similarly high stereo- and regiocontrol is also achieved with enantiomerically pure trans-2-methylcyclohexyl diazoacetates. Product control from insertion reactions of d- or l-menthyl diazoacetate and (+)-neomenthyl diazoacetate from the configurational match with dirhodium(II) catalyst results in the formation of one C-H insertion product in high yield. The exceedingly high product diastereoselection observed in these reactions is consistent with virtually exclusive insertion into equatorial C-H bonds. The catalyst-dependent selective formation of a cis-disubstituted γ-butyrolactone or a β-lactone from 2-octyl diazoacetate has been achieved. Control of product diastereoselectivity and regioselectivity in C-H insertion reactions is explained by conformational suitability in configurational match/mismatch of catalyst and carbene.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Application of 138984-26-6. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Dirhodium(II) tetrakis(caprolactam), is researched, Molecular C24H40N4O4Rh2, CAS is 138984-26-6, about Competitive Hydrogen Atom Transfer to Oxyl- and Peroxyl Radicals in the Cu-Catalyzed Oxidative Coupling of N-Aryl Tetrahydroisoquinolines Using tert-Butyl Hydroperoxide. Author is Boess, Esther; Wolf, Larry M.; Malakar, Santanu; Salamone, Michela; Bietti, Massimo; Thiel, Walter; Klussmann, Martin.

The question of whether hydrogen atom transfer (HAT) or electron transfer (ET) is the key step in the activation of N-aryl tetrahydroisoquinolines in oxidative coupling reactions using CuBr as catalyst and tert-Bu hydroperoxide (tBuOOH) has been investigated. Strong indications for a HAT mechanism were derived by using different para-substituted N-aryl tetrahydroisoquinolines, showing that electronic effects play a minor role in the reaction. Hammett plots of the Cu-catalyzed reaction, a direct time-resolved kinetic study with in situ generated cumyloxyl radicals, as well as d. functional calculations gave essentially the same results. We conclude from these results and from kinetic isotope effect experiments that HAT is mostly mediated by tert-butoxyl radicals and only to a lesser extent by tert-butylperoxyl radicals, in contrast to common assumptions. However, reaction conditions affect the competition between these two pathways, which can significantly change the magnitude of kinetic isotope effects.

This literature about this compound(138984-26-6)Application of 138984-26-6has given us a lot of inspiration, and I hope that the research on this compound(Dirhodium(II) tetrakis(caprolactam)) can be further advanced. Maybe we can get more compounds in a similar way.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Synthetic Route of C24H40N4O4Rh2. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: Dirhodium(II) tetrakis(caprolactam), is researched, Molecular C24H40N4O4Rh2, CAS is 138984-26-6, about Intramolecular C-H insertion using NHC-di-rhodium(II) complexes: the influence of axial coordination. Author is Gomes, Luis F. R.; Trindade, Alexandre F.; Candeias, Nuno R.; Gois, Pedro M. P.; Afonso, Carlos A. M..

In this work we show that the intramol. C-H insertion of diazoacetamides catalyzed by dirhodium(II) complexes can be highly influenced by the axial ligand on the di-rhodium(II) complex. Axially monocoordinated NHC-Rh2(OAc)4 complexes have a distinct reactivity from the parent Rh2(OAc)4 complex affording the cyclization products in different rates and selectivities. Surprisingly, a new reaction mode emerged when using these complexes which led to a decarbonylation pathway.

This literature about this compound(138984-26-6)Synthetic Route of C24H40N4O4Rh2has given us a lot of inspiration, and I hope that the research on this compound(Dirhodium(II) tetrakis(caprolactam)) can be further advanced. Maybe we can get more compounds in a similar way.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

Application of 15418-29-8. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Copper(I) tetra(acetonitrile) tetrafluoroborate, is researched, Molecular C8H12BCuF4N4, CAS is 15418-29-8, about Structurally Precise Silver Sulfide Nanoclusters Protected by Rhodium(III) Octahedra with Aminothiolates. Author is Ueda, Misaki; Goo, Zi Lang; Minami, Katsue; Yoshinari, Nobuto; Konno, Takumi.

A 60-nuclear silver sulfide nanocluster with a highly pos. charge (1) has been synthesized by mixing an octahedral RhIII complex with 2-aminoethanethiolate ligands, silver(I) nitrate, and D-penicillamine in water under mild conditions. The spherical surface of 1 is protected by the chiral octahedral RhIII complex, with cleavage of the C-S bond of the D-penicillamine supplying the sulfide ions. Although 1 does not contain D-penicillamine, it is optically active because of the enantiomeric excess of the RhIII mols. induced by chiral transfer from D-penicillamine. 1 Can accommodate/release external Ag+ ions and replace inner Ag+ ions by Cu+ ions. The study demonstrates that a thiolato metal complex and sulfur-containing amino acid can be used as cluster-surface-protecting and sulfide-supplying regents, resp., for creating chiral, water-soluble, structurally precise silver sulfide nanoclusters, the properties of which are tunable through the addition/removal/exchange of Ag+ ions.

This literature about this compound(15418-29-8)Application of 15418-29-8has given us a lot of inspiration, and I hope that the research on this compound(Copper(I) tetra(acetonitrile) tetrafluoroborate) can be further advanced. Maybe we can get more compounds in a similar way.

Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Chloro-6-nitrobenzo[d]thiazole(SMILESS: O=[N+](C1=CC=C2N=C(Cl)SC2=C1)[O-],cas:2407-11-6) is researched.Application of 15418-29-8. The article 《Economical and scalable synthesis of 6-amino-2-cyanobenzothiazole》 in relation to this compound, is published in Beilstein Journal of Organic Chemistry. Let’s take a look at the latest research on this compound (cas:2407-11-6).

2-Cyanobenzothiazoles (CBTs) were the useful building blocks for luciferin derivatives, for bioluminescent imaging, handles and for bioorthogonal ligations. An economical and scalable synthesis of 6-amino-2-cyanobenzothiazole based on a cyanation catalyzed by 1,4-diazabicyclo[2.2.2]octane (DABCO) was presented and its advantages for scale-up over previously reported routes was also discussed.

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Reference:
Highly efficient and robust molecular ruthenium catalysts for water oxidation,
Catalysts | Special Issue : Ruthenium Catalysts – MDPI