Tag: M.W=50-100

Chen, Zicong published the artcilePalladium-Phenylpyrazolylphosphine-Catalyzed Cross-Coupling of Alkenyl Pivalates, SDS of cas: 930-36-9, the publication is Asian Journal of Organic Chemistry (2021), 10(4), 776-779, database is CAplus.

A new type of easily accessible phenylpyrazole phosphine ligand was developed. The catalyst generated from Pd(OAc)₂ and PP-Phos was highly effective in the palladium-catalyzed cross-coupling of alkenyl pivalates with organomagnesium reagents. The reaction accommodated a broad scope of alkenyl carboxylates under mild conditions, providing an alternative but practical way to the synthesis of multi-substituted alkenes, e.g., I in value.

Asian Journal of Organic Chemistry published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, SDS of cas: 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Britton, Luke published the artcileManganese-Catalyzed C(sp²)-H Borylation of Furan and Thiophene Derivatives, Category: pyrazoles-derivatives, the publication is ACS Catalysis (2021), 11(12), 6857-6864, database is CAplus.

Aryl boronic esters are bench-stable, platform building-blocks that can be accessed through metal-catalyzed aryl C(sp²)-H borylation reactions. C(sp²)-H bond functionalization reactions using rare- and precious-metal catalysts are well established, and while examples using Earth-abundant alternatives have emerged, Mn catalysis remains lacking. The Mn-catalyzed C-H borylation of furan and thiophene derivatives is reported alongside an in situ activation method providing facile access to the active Mn hydride species. Mechanistic studies showed that blue light irradiation directly affected catalysis by action at the metal center, that C(sp²)-H bond borylation occurs through a C-H metalation pathway, and that the reversible coordination of pinacolborane to the catalyst gave a Mn borohydride complex, which was as an off-cycle resting state.

ACS Catalysis published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Sagar, Satish published the artcileStructure activity relationship (SAR) study identifies a quinoxaline urea analog that modulates IKKβ phosphorylation for pancreatic cancer therapy, Application of 1-Methylpyrazole, the publication is European Journal of Medicinal Chemistry (2021), 113579, database is CAplus and MEDLINE.

Genetic models validated Inhibitor of nuclear factor (NF) kappa B kinase beta (IKKβ) as a therapeutic target for KRAS mutation associated pancreatic cancer. Phosphorylation of the activation loop serine residues (S177, S181) in IKKβ is a key event that drives tumor necrosis factor (TNF) α induced NF-κB mediated gene expression. Here we conducted structure activity relationship (SAR) study to improve potency and oral bioavailability of a quinoxaline analog 13-197 that was previously reported as a NFκB inhibitor for pancreatic cancer therapy. The SAR led to the identification of a novel quinoxaline urea analog 84 that reduced the levels of p-IKKβ in dose- and time-dependent studies. When compared to 13-197, analog 84 was âˆ?.5-fold more potent in TNFα-induced NFκB inhibition and âˆ?-fold more potent in inhibiting pancreatic cancer cell growth. Analog 84 exhibited âˆ?.3-fold greater exposure (AUC0-âˆ? resulting in âˆ?.7-fold increase in oral bioavailability (%F) when compared to 13-197. Importantly, oral administration of 84 by itself and in combination of gemcitabine reduced p-IKKβ levels and inhibited pancreatic tumor growth in a xenograft model.

European Journal of Medicinal Chemistry published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Application of 1-Methylpyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ummireddi, Ashok Kumar published the artcileAmmonium ionic liquid cation promotes electrochemical CO₂ reduction to ethylene over formate while inhibiting the hydrogen evolution on a copper electrode, Recommanded Product: 1-Methylpyrazole, the publication is Catalysis Science & Technology (2022), 12(2), 519-529, database is CAplus.

Reduction in the cost of renewable electricity has enhanced the viability of the electrochem. CO₂ reduction reaction (CO₂RR) to chems. Ethylene is an economically desired product, and Cu is the only cathode that produces C₂H₄ at reasonable faradaic efficiencies. Altering the binding strength of the key intermediate (CO₂^– ) to favor the reaction pathway to ethylene offers an opportunity to enhance its selectivity further. We explore the influence of ionic liquid cations on ethylene/CO₂RR and hydrogen evolution reaction (HER) activities on polycrystalline Cu. Alkylated imidazolium, pyrazolium, pyrrolidinium, and ammonium tetrafluoroborates were chosen because of their range of Bader charges on their N atom(s) and pK_a values. Among all cations, the tetraethylammonium cation with moderate Bader charge on N and high pK_a of hydration showed the highest ethylene/CO₂RR and lowest HER activities, resp. From d. functional theory calculations, it is concluded that the moderate stabilization of the critical intermediate (*COO^–) and the decrease in hydrogen binding energy are the reasons for the enhancement of ethylene/CO₂RR and suppression of HER activities, resp.

Catalysis Science & Technology published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C22H32O2, Recommanded Product: 1-Methylpyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Dong, Kaiwu published the artcileEfficient Palladium-Catalyzed Alkoxycarbonylation of Bulk Industrial Olefins Using Ferrocenyl Phosphine Ligands, Category: pyrazoles-derivatives, the publication is Angewandte Chemie, International Edition (2017), 56(19), 5267-5271, database is CAplus and MEDLINE.

The development of ligands plays a key role and provides important innovations in homogeneous catalysis. In this context, authors report a novel class of ferrocenyl phosphines for the alkoxycarbonylation of industrially important alkenes. A basic feature of ligands is the combination of sterically hindered and amphoteric moieties on the P atoms, which leads to improved activity and productivity for alkoxycarbonylation reactions compared to the current industrial state-of-the-art ligand 1,2-bis((di-tert-butylphosphino)methyl)benzene. Advantageously, palladium catalysts with these novel ligands also enable such transformations without addnl. acid under milder reaction conditions. The practicability of the optimized ligand was demonstrated by preparation on >10 g scale and its use in palladium-catalyzed carbonylations on kilogram scale.

Angewandte Chemie, International Edition published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Semenov, Valentin A. published the artcileCalculation of ¹⁵N NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels, Application In Synthesis of 930-36-9, the publication is Journal of Physical Chemistry A (2019), 123(39), 8417-8426, database is CAplus and MEDLINE.

Computations of 15N NMR chem. shifts in 93 diverse nitrogen-containing compounds representing almost all known classes are performed at the d. functional theory (DFT), second-order Moller-Plesset perturbation theory (MP2), and coupled cluster singles and doubles (CCSD) levels using the composite method approximation (CMA) in comparison with exptl. results. It is shown that the CMA-DFT and CMA-CCSD methods provided the best performance characterized by a normalized mean absolute error of 1.1-1.3% as compared to 2.3% for the CMA-MP2 results. Taking into account solvent effects within the conductor-like polarizable continuum model decreased the normalized mean absolute error by 0.4% for the CMA-DFT and by 0.2% for the CMA-CCSD calculations

Journal of Physical Chemistry A published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C10H9IO4, Application In Synthesis of 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Jayasundara, Chathurika R. K. published the artcileCobalt-Catalyzed C-H Borylation of Alkyl Arenes and Heteroarenes Including the First Selective Borylations of Secondary Benzylic C-H Bonds, Category: pyrazoles-derivatives, the publication is Organometallics (2018), 37(10), 1567-1574, database is CAplus.

A Co di-tert-butoxide complex bearing N-heterocyclic carbene (NHC) ligands was synthesized and characterized. This complex is effective at catalyzing the selective monoborylation of the benzylic position of alkyl arenes using pinacolborane (HBpin) as the B source. This same Co complex enables selective monoborylation of N-methylpyrrole, N-methylpyrazole, and N-methylindole. Catalysis can be achieved with â‰?-3 mol % of the Co precatalyst at 80°.

Organometallics published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Category: pyrazoles-derivatives.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Ivonin, Sergey P. published the artcileSynthesis and oxidation of all isomeric 2-(pyrazolyl)ethanols, Synthetic Route of 930-36-9, the publication is Chemistry of Heterocyclic Compounds (New York, NY, United States) (2020), 56(3), 320-325, database is CAplus.

An efficient approach to the preparation of N-substituted 2-(pyrazol-4-yl)ethanols based on recyclization reaction of 3-(dimethoxymethyl)-2-methoxytetrahydrofuran with hydrazines was described. Oxidation by KMnO₄ led to 2-(pyrazol-4-yl)-2-oxoacetic acids. In contrast, 2-(pyrazol-5-yl)ethanol under similar conditions gave only pyrazole-5-carboxylic acid, which formed as a result of oxidation followed by decarbonylation. Compound 2-(pyrazol-3-yl)ethanol in this oxidation reaction gave a mixture of 2-oxo-2-(pyrazol-3-yl)acetic acid and pyrazole-3-carboxylic acid.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Synthetic Route of 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Mistico, Laetitia published the artcileAccess to Silylated Pyrazole Derivatives by Palladium-Catalyzed C-H Activation of a TMS group, Name: 1-Methylpyrazole, the publication is Chemistry – A European Journal (2016), 22(28), 9687-9692, database is CAplus and MEDLINE.

A simple and efficient approach to new silylated heterocycles of potential interest in medicinal chem. is presented. A set of bromophenyl trimethylsilyl pyrazole intermediates can be transformed by direct organometallic routes into two families of regioisomeric iodoaryl substrates; using either arylzinc or aryllithium chem., the TMS group remains on the pyrazole ring or translocates to the aryl moiety. These two families can then be efficiently transformed into benzo silino pyrazoles thanks to a single-step cyclization relying on the Pd-catalyzed activation of a nonactivated C(sp³)-H bond alpha to a Si atom. The exptl. conditions used, which are fully compatible with the pyrazole ring, suggest that this reaction evolves through a concerted metalation-deprotonation (CMD) mechanism.

Chemistry – A European Journal published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C4H6N2, Name: 1-Methylpyrazole.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics

Zhao, Hui published the artcileN-alkylation of N-H compounds in N, N-dimethylformamide dialkyl acetal, Synthetic Route of 930-36-9, the publication is Youji Huaxue (2019), 39(2), 434-442, database is CAplus.

The N, N-dimethylformamide dialkyl acetal was used as the alkyl source to achieve different nitrogen alkylation reactions of N-H compounds The reaction has the advantages of cheap raw materials, easy operation, mild reaction conditions, broad substrate scope and no metal participation. By studying the effects of solvents, temperature, reaction time, and the amount of N, N-dimethylformamide dialkyl acetal on the reaction, the optimal reaction conditions were obtained. The effect of different N, N-dimethylformamide dialkyl acetals on the alkylation ability of the substrate was investigated.

Youji Huaxue published new progress about 930-36-9. 930-36-9 belongs to pyrazoles-derivatives, auxiliary class Pyrazole, name is 1-Methylpyrazole, and the molecular formula is C18H15N3O3, Synthetic Route of 930-36-9.

Referemce:
https://en.wikipedia.org/wiki/Pyrazole,
Pyrazoles – an overview | ScienceDirect Topics