Category: ruthenium-catalysts

Hollfelder, Florian; Kirby, Anthony J.; Tawfik, Dan S. published the article 《Efficient Catalysis of Proton Transfer by Synzymes》. Keywords: catalysis proton transfer synzyme; synthetic enzyme proton transfer catalysis.They researched the compound: 1,2-Benzisoxazole( cas:271-95-4 ).Related Products of 271-95-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:271-95-4) here.

Enzyme catalysis depends on subtle combinations of effects that are difficult to sep. and quantify. Medium effects are a crucial part of this package, but the assignment of a local dielec. constant to the structured microenvironment of an active site and its effect on ground state destabilization or transition state stabilization by electrostatic interactions is exptl. impossible. We desire to mimic, and thus begin to quantify, such active site medium effects exptl. As a test reaction, we use the eliminative cleavage of benzisoxazole (Kemp elimination), known to be particularly sensitive to the effects of the medium. A subset of several hundred water-soluble polymers was prepared by alkylating polyethyleneimine (PEI) with different combination of three contrasting alkyl groups, forming enzyme-like catalysts (synzymes). These polymers catalyze the Kemp elimination, in water, with rate accelerations as high as 106 and at least 500 turnovers per basic site. Proton transfer from carbon is catalyzed by polymer amine groups with pKA values as low as 5.7 and apparent effective molarities of the order of 1000 M. Four of the synzymes combining high activity with sufficient solubility were selected for detailed characterization, including determination of kcat, KM, and pKA. The pH rate profile confirms that the catalytic species are active in their basic forms.

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

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-Bromopropanenitrile, is researched, Molecular C3H4BrN, CAS is 19481-82-4, about Thermodynamic functions for 2-chloro- and 2-bromopropionitrile, the main research direction is thermodn bromopropionitrile chloropropionitrile; propionitrile bromo chloro thermodn.Computed Properties of C3H4BrN.

The standard thermodn. functions – heat capacity, entropy, enthalpy function, and free energy function – were calculated for the isomeric (trans and gauche) mixtures of 2-bromopropionitrile [19481-82-4] and 2-chloropropionitrile [1617-17-0] in the ideal gas state at 1 atm. by using literature spectroscopic and mol. structure data and statistical mech. methods.

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

Category: ruthenium-catalysts. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Bromopropanenitrile, is researched, Molecular C3H4BrN, CAS is 19481-82-4, about Homo and block copolymers of tert-butyl methacrylate by atom transfer radical polymerization. Author is Krishnan, R.; Srinivasan, K. S. V..

Atom transfer radical polymerization (ATRP) of tert-Bu methacrylate (tBMA) was investigated using cuprous bromide with different ligands, solvents, deactivators, etc. The polymerization in bulk and di-Ph ether solvent system performed using CuBr complexed with N,N,N’,N”,N”-pentamethyldiethylenetriamine (PMDETA) catalyst in conjunction with 2-bromopropionitrile as an initiator at room temperature showed a curvature in the first-order kinetic plot. The controlled polymerization in methanol solution resulted in slower rate of polymerization and lower mol. weights Well-defined diblock copolymers of PSt-b-PtBMA synthesized by polystyrene bromo macroinitiator (PSt-Br) with CuCl/PMDETA catalyst system yielded predetermined mol. weights and lower polydispersities. Otherwise, the CuBr/PMDETA catalytic system showed an inefficient polymerization of tBMA with lower mol. weights and higher polydispersities. Subsequent hydrolysis of the homopolymer refluxed in dioxane with addition of HCl afforded well-defined poly(methacrylic acid).

Although many compounds look similar to this compound(19481-82-4)Category: ruthenium-catalysts, numerous studies have shown that this compound(SMILES:CC(Br)C#N), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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 《Benzisoxazoles. VI. Friedel-Crafts acylation of benzisoxazoles》. Authors are Borsche, Walther; Hahn-Weinheimer, Paula.The article about the compound:1,2-Benzisoxazolecas:271-95-4,SMILESS:C12=CC=CC=C1ON=C2).COA of Formula: C7H5NO. Through the article, more information about this compound (cas:271-95-4) is conveyed.

cf. C.A. 35, 4378.1. 1,2-Benzisoxazole (I) (2.38 g.) in 5 cc. PhNO2 (II) reacting 24 h. with 3 g. AlCl3 suspended in 6.5 cc. II and 2 g. AcCl, treated with ice and 2 cc. concentrated HCl, steam-distilled, and the still residue extracted with Et2O, followed by extraction with 0.2 N NaOH and acidification, gave (impure) 5,2-Ac(HO)C6H3CN (III); 2,4-dinitrophenylhydrazone, red needles, m. 300° (from AcOH). Pure III, m. 78° (after distillation in vacuo), was formed from ο-HOC6H4CN (IV) by a very similar acylation. III heated with Ac2O gave the 2-acetate, b2 156°; dinitrophenylhydrazone, red, m. 272° (from MeOH). I in II warmed with AlCl3 and treated with HCl gave IV. I in II and AlCl3 on standing also gave IV. The 3-Me derivative (V) of I was prepared either from 2-BrC6H4COCl (cf. Borsche and Scriba, C.A. 34, 761.2) or by Lindemann’s method (C.A. 21, 91) from 2-HOC6H4Ac (formed from IV and MeMgI). V on acylation in II gave very small yields of a 4(?)-Ac derivative of V (isolated as the red 2,4-dinitrophenylhydrazone, m. 254°) and, as the main product 5,2-Ac(HO)C6H3CMe:NOH, brown oil, characterized as the dinitrophenylhydrazone, red leaflets, m. 314° (from AcOH). The 3-Ph derivative of I remained unchanged under various conditions of acetylation. Evidently the aromatic nucleus of benzisoxazole is not readily affected by the Friedel-Crafts reaction and acylation is effective only after fission of the isoxazole ring. 2,3-HO(MeO)C6H3CH:NOH, m. 124°, with Ac2O gave the O-acetyl derivative, C10H11O4N, m. 99°, 19.22 g. of which when heated at 40-50° and 2 mm. lost AcOH, and when heated further at 140-150° (at 2 mm.) gave a mixture of 12.2 g. 2,3-HO(MeO)C6H3CN (VI), b2 172-8°, yellow, m. 59°, and about 10% of the 7-MeO derivative (VII) of I, yellow oil, b2 155-60°. Friedel-Crafts acetylation of 2.98 g. VII gave about 0.95 g. of the alkali-soluble 5,2,3-Ac(HO)2C6H2CN (VIII), yellow, m. 44° [2,4-dinitrophenylhydrazone (IX), red needles, m. 316°], and (in the alkali-insoluble portion) the 4(?)-Ac-derivative of VII, brown oil (2,4-dinitrophenylhydrazone, bright red, m. 233°). Acetylation of VII with Ac2O gave 53% VIII. A Friedel-Crafts benzoylation of VII in II gave (in the alkali-insoluble portion) 2,3-BzO(MeO)C6H3CN (X), m. 80° (giving no color with FeCl3 and failing to react with (O2N)2C6H3NHNH2), and (in the alkali-soluble part) 2,3-BzO(HO)C6H3CN, m. 95-6° (giving a blue color with FeCl3 in MeOH and yielding no dinitrophenylhydrazone), and converted into X on methylation. Friedel-Crafts phenacetylation of VII in II gave (23%) 2,3-PhCH2CO(MeO)C6H3CN, m. 49-50° (from MeOH), also formed from PhCH2COCl and VI. CH2N2 and VI gave 2,3-(MeO)2C6H3CN, b2 195°, m. 45°. Br in AcOH and VI gave the 5-Br derivative of VI, m. 171° (from glacial AcOH). Acetylation of VI, however, yielded VIII, m. 44° (identified as IX). Benzoylation of VI gave a mixture of X and 2,3-BzO(HO)C6H3CN. VI (14.9 g.) in Et2O with MeMgI (from 35.5 g. MeI and 6.1 g. Mg) gave about 90% 2,3-HO(MeO)C6H3Ac, m. 53° (from petr. ether) (dinitrophenythydrazone, yellow leaflets, m. 222°), whose oxime (5.43 g.), m. 125°, with 20 cc. Ac2O gave 3 g. 3-Me derivative (XI) of VII, b2 185-90°. Friedel-Crafts acetylation of XI gave the alkali-insoluble 4(?)-Ac derivative of XI (dinitrophenylhydrazone, red, m. 146°) and, in the alkali-soluble part, 5,2,3-Ac(HO)(MeO)C6H2C(:NOH)Me, whose 2,4-dinitrophenylhydrazone, red needles, m. 233°. Analogously PhMgBr and VI gave the 2,3-HO(MeO)C6H3Bz, m. 59°, b3 220-25° (2,4-dinitrophenylhydrazone, red, m. 226°), whose oxime, m. 221°, with Ac2O, gave the 3-Ph derivative (XII) of VII, b2 230-40°, m. 58°. 4-Br derivative of XII m. 150°; 4-NO2 derivative of XII, pale yellow, m. 194° (from CHCl3-MeOH). Friedel-Crafts acetylation of XII in II gave 79% of the 4(?)-Ac derivative, m. 187° (dinitrophenylhydrazone, dark red, m. 278°). BzCl and XII gave a Bz derivative, C21H15O3N (yielding no dinitrophenylhydrazone).

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

HPLC of Formula: 60804-74-2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: Tris(2,2′-bipyridine)ruthenium bis(hexafluorophosphate), is researched, Molecular C30H24F12N6P2Ru, CAS is 60804-74-2, about Encapsulation condition dependent photophysical properties of polypyridyl Ru(II) complexes within a hydrogen-bonded capsule. Author is Horiuchi, Shinnosuke; Tanaka, Hiroto; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke.

Controlling the encapsulation equilibrium is a key strategy to affect host-guest associations Ruthenium(II) polypyridyl complex salts suspended in a chloroform solution of resorcin[4]arene afforded a host-guest complex which showed structured emission spectra even in the solution state. In contrast, a host-guest complex obtained through homogeneous encapsulation conditions by using soluble ruthenium(II) polypyridyl complex salts showed broadened emission spectra which strongly depended on the amount of the host owing to the encapsulation equilibrium A simple modulation of the encapsulation technique is indeed promising and a facile approach to control the photophys. properties of supramol. complexes.

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

Name: 1,2-Benzisoxazole. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1,2-Benzisoxazole, is researched, Molecular C7H5NO, CAS is 271-95-4, about Photochemistry of 1,2-benzisoxazoles in strongly acidic solution. Author is Doppler, Thomas; Schmid, Hans; Hansen, Hans Juergen.

Photolysis of I (R = R1 = H; R = Me, R1 = H; R = Me, R1 = 6-Me) in 96% H2SO4 yields mixtures of II ( R = R1 = H; R = Me, R1 = H; R = Me, R1 = 4-Me) and III (R = R1 = H; R = Me, R1 = H; R = Me, R1 = 4-Me). Photolysis of I (R = Me, R1 = 5-Me) in 96% H2SO4 yields III (R = Me, R1 = 5-Me) in only 6% yield. 1,2-Benzisoxazolium ions react in the excited singlet state by heterolytic cleavage of the N-O bond to yield the corresponding aryloxenium ion (IV) in the singlet state; reaction of IV and HSO4- ions yields, after hydrolysis, the dihydroxy compounds II and III.

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

In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Visible-light photocatalytic preparation of alkenyl thioethers from 1,2,3-thiadiazoles and Hantzsch esters: synthetic and mechanistic investigations, published in 2021, which mentions a compound: 60804-74-2, Name is Tris(2,2′-bipyridine)ruthenium bis(hexafluorophosphate), Molecular C30H24F12N6P2Ru, Computed Properties of C30H24F12N6P2Ru.

A protocol to synthesize trisubstituted alkenyl thioethers I (R1 = Ph, 3-ClC6H4, 2-naphthyl, 2-thienyl, etc.; R2 = i-Pr, cyclohexyl, PhCH2, PhCMe2, etc.) through a direct S-alkylation of 1,2,3-thiadiazoles II with C-radical precursors, 4-alkyl-1,4-dihydropyridines III (R3 = EtO2C, t-BuO2C, CN), driven by visible-light photocatalysis is disclosed. A broad range of primary, secondary and tertiary C-radical precursors is suitable for this reaction and the desired products can be obtained in good to excellent yields under mild conditions. Remarkably, high stereoselectivity with Z-alkenyl thioethers was achieved in the presence of a Cu(OAc)2 catalyst. Synergistic exptl. and computational studies were carried out to shed light on the mechanisms of this reaction, in which the quenching pathway of an excited photocatalyst (*RuII) could be altered in the presence of the Cu(OAc)2 catalyst. A reductive quenching pathway (RuII/*RuII/RuI/RuII) was proposed in the absence of the Cu(OAc)2 catalyst while an oxidative quenching pathway (RuII/*RuII/RuIII/RuII) was suggested with the assistance of the Cu(OAc)2 catalyst. In addition, the origin of the Z-selectivity of the product was discussed.

Although many compounds look similar to this compound(60804-74-2)Computed Properties of C30H24F12N6P2Ru, numerous studies have shown that this compound(SMILES:F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.C1(C2=NC=CC=C2)=NC=CC=C1.C3(C4=NC=CC=C4)=NC=CC=C3.C5(C6=NC=CC=C6)=NC=CC=C5.[Ru+2]), has unique advantages. If you want to know more about similar compounds, you can read my other articles.

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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Journal of Organic Chemistry called Reactions in the thiazole series. I. Reactions of 2-chlorobenzothiazoles with thioureas, Author is Scott, Winfield; Watt, George W., which mentions a compound: 2407-11-6, SMILESS is O=[N+](C1=CC=C2N=C(Cl)SC2=C1)[O-], Molecular C7H3ClN2O2S, Product Details of 2407-11-6.

N-Methylenecyclohexylamine, melted on the water bath and treated with S in small portions, gives 37% of s-dicyclohexylthiourea (I), m. 179-80°; various modifications of the reaction did not materially increase the yield (maximum, 44%). The reaction of 1,1′-methylenebispiperidine and S in xylene did not give the expected s-dipentamethylenethiourea but there resulted 34% of piperidine pentamethylenedithiocarbamate, m. 172-3°, piperidine hydrosulfide, H2S and varying amounts of tarry products. The reaction of 2-chlorobenzothiazole (II) with thiourea, the allyl, Ph and o-tolyl derivatives gave 100, 100, 78 and 79%, resp., of 2-mercaptobenzothiazole (III); no reaction occurred with s-diphenyl- N,N-dimethyl-N’-phenyl-(IV), N,N-pentamethylene-N’-phenyl derivatives and I. II and N,N’-o-phenylenethiourea give the addition compound, C14H10ClN3S2, m. 233-4° (decomposition), in 86% yield when refluxed 1 hr. in EtOH. The yield of the 6-NO2 derivative of III, m. 225-7°, from the 6-NO2 derivative of II was: thiourea 100, allyl- 94, Ph-92, o-tolyl 93, s-di-Pr 49, I 94°, IV 0. A by-product in the reaction with IV is 2-dimethylamino-6-nitrobenzothiazole, m. 197.5-9°; Me2NH is probably formed by the decomposition of IV. The order of decreasing reactivity is thiourea > mono- > di- > trisubstituted.

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

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Dalton Transactions called Towards efficient sustainable full-copper dye-sensitized solar cells, Author is Dragonetti, Claudia; Magni, Mirko; Colombo, Alessia; Fagnani, Francesco; Roberto, Dominique; Melchiorre, Fabio; Biagini, Paolo; Fantacci, Simona, which mentions a compound: 15418-29-8, SMILESS is [Cu+](N#CC)(N#CC)(N#CC)N#CC.[B+3]([F-])([F-])([F-])[F-], Molecular C8H12BCuF4N4, COA of Formula: C8H12BCuF4N4.

Two new heteroleptic copper(I) sensitizers bearing 6,6′-dimethyl-2,2′-bipyridine-4,4′-dibenzoic acid, to anchor the dye on the titania surface, and a π-delocalized 2-(R-phenyl)-1H-phenanthro[9,10-d]imidazole (R = NPh2 or O-hexyl) ancillary ligand were prepared and well characterized. Their performance as dyes in DSSCs is quite similar to that of the related complex bearing 2,9-dimesityl-1,10-phenanthroline as an ancillary ligand, when using the common I-/I3- redox couple or homoleptic copper complexes as electron shuttles. The exptl. results along with theor. calculations confirm the great potential of full-copper DSSCs.

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

Related Products of 676448-17-2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Boc-4-Bromoindole, is researched, Molecular C13H14BrNO2, CAS is 676448-17-2, about Metallaphotoredox-enabled deoxygenative arylation of alcohols. Author is Dong, Zhe; MacMillan, David W. C..

Metal-catalyzed cross-couplings are a mainstay of organic synthesis and are widely used for the formation of C-C bonds, particularly in the production of unsaturated scaffolds1. However, alkyl cross-couplings using native sp3-hybridized functional groups such as alcs. remain relatively underdeveloped2. In particular, a robust and general method for the direct deoxygenative coupling of alcs. would have major implications for the field of organic synthesis. A general method for the direct deoxygenative cross-coupling of free alcs. must overcome several challenges, most notably the in situ cleavage of strong C-O bonds3, but would allow access to the vast collection of com. available, structurally diverse alcs. as coupling partners4. Authors report herein a metallaphotoredox-based cross-coupling platform in which free alcs. are activated in situ by N-heterocyclic carbene salts for carbon-carbon bond formation with aryl halide coupling partners. This method is mild, robust, selective and most importantly, capable of accommodating a wide range of primary, secondary and tertiary alcs. as well as pharmaceutically relevant aryl and heteroaryl bromides and chlorides. The power of the transformation has been demonstrated in a number of complex settings, including the late-stage functionalization of Taxol and a modular synthesis of Januvia, an antidiabetic medication. This technol. represents a general strategy for the merger of in situ alc. activation with transition metal catalysis.

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