Day: November 21, 2022

Stevens, Jason M. published the artcileAdvancing Base Metal Catalysis through Data Science: Insight and Predictive Models for Ni-Catalyzed Borylation through Supervised Machine Learning, Related Products of quinuclidine, the publication is Organometallics (2022), 41(14), 1847-1864, database is CAplus.

An expansive data set containing 33 substrates, 36 unique monophosphine ligands, and two solvents was produced for the NiCl₂·6H₂O catalyzed aryl (pseudo)halide borylation with tetrahydroxydiboron for a total of 1632 reactions. Exploratory data anal. revealed excellent reaction performance with simple triarylphosphines (P(p-F-Ph)₃ and P(p-Anis)₃) and mixed aryl-alkyl phosphines (PPh₂Cy), in addition to the previously established high performance with Cy-JohnPhos. The data were used to train machine learning models that predicted out of sample reaction performance with a root-mean-square error of 18.4. The important features extracted from the models identified three phosphine parameters that offered reliable reactivity thresholds for identifying optimal ligand performance. The predictive models showed reasonable performance for predicting reaction yields employing ligands not included in model training, while the important feature boundaries accurately classified the performance of 10 of the 12 external ligands examined

Organometallics published new progress about 1160556-64-8. 1160556-64-8 belongs to quinuclidine, auxiliary class Mono-phosphine Ligands, name is 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1′-biphenyl]-2,6-diamine, and the molecular formula is C8H15BrO2, Related Products of quinuclidine.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Li, Tianlei published the artcileMetallaphotoredox-catalyzed C-H activation: regio-selective annulation of allenes with benzamide, Synthetic Route of 20029-52-1, the publication is Organic Chemistry Frontiers (2021), 8(5), 928-935, database is CAplus.

An efficient annulation of benzamides I (R = 4-ClC₆H₄, 2-naphthyl, 2-thienyl, etc.) with allenes R²CCCH₂ (R¹ = C₆H₅, C(O)₂CH₃, C(O)₂CH₂C₆H₅, etc.; R² = H, CH₃) using cobalt and photoredox dual catalysis under an oxygen atm. has been described. This reaction provides a mild and environmentally friendly method for the construction of isoquinolinone scaffolds, e.g., II in good to excellent yields, demonstrating broad substrate scopes, high regioselectivity, and good functional group compatibility. Notably, the transformation features an alternative strategy for the regeneration of a cobalt catalyst with the aid of Eosin Y. Preliminary mechanistic studies reveal that a radical-mediated cascade annulation is involved in this reaction.

Organic Chemistry Frontiers published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Synthetic Route of 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Duan, Wen-Long published the artcileStructures, kinetic and synergistic mechanisms studies of urease inhibition of copper(II) complex based on MOSs, Related Products of quinuclidine, the publication is Journal of Molecular Structure (2020), 127958, database is CAplus.

Urea can undergo fast enzymic hydrolysis catalyzed by urease, generating a variety of N species that can cause environment damage. Therefore, urea hydrolysis can be reduced by adding urease inhibitors. Heterocyclic compound, 4,4′-methylenebis (N-(pyridine-2-lmethyl)cyclohexanamine) (L) was used to react with MCl₂(M = Zn, Cu, Co, Cd), producing a series of metal-organic salts [H₄L]⁴⁺·2 [XCl₄]^2- [X = Zn (1), Cu (2), Co (3), Cd (4)]. The salt 2 has an obvious inhibitory effect on the inhibitory activity against jack bean urease, with the IC₅₀ of 2 being 0.34 ± 0.01μΜ (0.5 h) and 0.93 ± 0.01μM (3 h). Mol. docking was used to study the inhibition mechanism, which indicates that copper complex can be used as a urease inhibitor, and the salt 2 can reduce relevant nitrogen loss.

Journal of Molecular Structure published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Related Products of quinuclidine.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Guo, Jiabao published the artcileA synthesized semi-aromatic copolyamaide through synergy of three different kinds of monomers: Toward high transparency, excellent heat resistance and melt flowing property, Application of 4,4-Diaminodicyclohexyl methane, the publication is Journal of Applied Polymer Science (2021), 138(2), 49678, database is CAplus.

To fabricate the low-cost transparent polyamide with high heat resistance and good melt flowing property simultaneously is a huge challenge in many high-end fields due to the contradiction between these two properties. In order to balance this contradiction, in this paper, by using isophthalic acid (IPA, aromatic monomer), 4,4′-methylenebis(cyclohexylamine (PACM, alicyclic monomer) as rigid stereoscopic monomers, 1,6-hexanediamine (HMD, aliphatic monomer) as the flexible monomer, a series of transparent polyhexamethylene isophthalamide/poly(m-benzoyl4,4′-methylenebis(cyclohexylamine)) (PA6I/PACMI) with rigid and stereoscopic structure (corresponding to the large distance between adjacent mol. chains) were successfully synthesized). The results indicated that the newly synthesized PA6I/PACMI copolymer has an intrinsically amorphous structure and high optical transparency, which could reach as high as 90%. Furthermore, the highest glass transition temperature (T_g) of the copolymer is over 153.9°C, at the same time, the copolymer also possesses excellent melt flowing property, which can be melt processed easily. Therefore, the newly synthesized copolymer has great advantages in many fields, and it can also shed light on the design and fabrication of high-performance materials.

Journal of Applied Polymer Science published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Application of 4,4-Diaminodicyclohexyl methane.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Guo, Xiangyu published the artcileRuthenium-Catalyzed Para-Selective Oxidative Cross-Coupling of Arenes and Cycloalkanes, Application In Synthesis of 20029-52-1, the publication is Organic Letters (2011), 13(19), 4977-4979, database is CAplus and MEDLINE.

A novel, direct para-selective oxidative cross-coupling of benzene derivatives with cycloalkanes catalyzed by ruthenium was developed. A wide range of arenes bearing electron-withdrawing substituents was functionalized directly with simple cycloalkanes with high para-selectivity; arenes with electron-donating groups were mainly para-functionalized. Benzoic acid can be used directly.

Organic Letters published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Application In Synthesis of 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Frigione, Mariaenrica published the artcileExperimental cold-cured nanostructured epoxy-based hybrid formulations: properties and durability performance, Synthetic Route of 1761-71-3, the publication is Polymers (Basel, Switzerland) (2020), 12(2), 476, database is CAplus and MEDLINE.

Different hybrid epoxy formulations were produced and cold-cured, monitoring the properties development during low temperature curing and aging. All systems were based on silane functionalized bisphenol A (DGEBA) resins (part A), cured at ambient temperature with two amine hardeners (part B). The different components of the formulations were selected on their potential capability to bring about enhancements in the glass transition temperature The durability of the produced hybrids was probed in comparison to the corresponding neat epoxies by monitoring changes in glass transition temperature (T_g) and flexural mech. properties after exposure to different levels of humidity and immersion in water and at temperatures slightly higher than the local ambient temperature, in order to simulate the conditions encountered during summer seasons in very humid environments. The thermal degradation resistance of the hybrid systems was also evaluated by thermogravimetric anal.

Polymers (Basel, Switzerland) published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Synthetic Route of 1761-71-3.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Cho, Sung Min published the artcileA Guanidine-Based Synthetic Compound Suppresses Angiogenesis via Inhibition of Acid Ceramidase, Related Products of quinuclidine, the publication is ACS Chemical Biology (2019), 14(1), 11-19, database is CAplus and MEDLINE.

Angiogenesis generates new blood vessels from pre-existing vessels. Tumors induce the formation of new blood vessels to ensure sufficient oxygen and nutrients for their growth. Normally, angiogenesis is induced by various pro-angiogenesis factors, including vascular endothelial growth factor (VEGF). Inhibition of VEGF is a promising approach to cancer treatment. A guanidine-based synthetic compound, E2, was identified as a potent hit from 68 guanidine-based derivatives by screening for angiogenesis inhibitors showing antiproliferative activity in human umbilical vein endothelial cells (HUVECs). To explore the mode of action of E2(I), target proteins were investigated using phage display biopanning, and acid ceramidase 1 (ASAH1) was identified as an E2-binding protein. Drug affinity responsive target stability (DARTS) and ASAH1 activity assays revealed the direct binding of E2 to ASAH1. Moreover, siRNA knockdown of ASAH1 demonstrated its role as an angiogenesis factor. Consequently, E2 inhibited chemoinvasion and tube formation of HUVECs in a dose-dependent manner. E2 also potently suppressed neo-vascularization of chorioallantoic membranes in vivo. Collectively, these data suggest that E2 is a novel angiogenesis inhibitor and ASAH1 is proposed to be a new antiangiogenesis target.

ACS Chemical Biology published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C13H16O2, Related Products of quinuclidine.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Yun’kova, T. A. published the artcileLiquid-phase catalytic oxidation of cyclohexyl and phenyl toluene derivatives, HPLC of Formula: 20029-52-1, the publication is Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya (2008), 51(4), 36-37, database is CAplus.

Liquid-phase catalytic oxidation of cyclohexyltoluene (I) and methylbiphenyl isomer mixtures in acetic acid in the presence of the cobalt acetate with formation of the p-cyclohexylbenzoic acid has been studied. It has been found that oxidation I in acetic acid at 95 – 100° during 6 h in the presence 0.1 mol cobalt acetate and 0.1 mol isobutyraldehyde as an initiator gave p-cyclohexylbenzoic acid with yield 92%.

Izvestiya Vysshikh Uchebnykh Zavedenii, Khimiya i Khimicheskaya Tekhnologiya published new progress about 20029-52-1. 20029-52-1 belongs to quinuclidine, auxiliary class Carboxylic acid,Benzene, name is 4-Cyclohexylbenzoic acid, and the molecular formula is C15H14N2, HPLC of Formula: 20029-52-1.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Armstrong, Megan K. published the artcileDifferential Dihydrofunctionalization of Terminal Alkynes: Synthesis of Benzylic Alkyl Boronates through Reductive Three-Component Coupling, Related Products of quinuclidine, the publication is Journal of the American Chemical Society (2019), 141(15), 6173-6179, database is CAplus and MEDLINE.

The differential dihydrofunctionalization of terminal alkynes is accomplished through the reductive three-component coupling of terminal alkynes, aryl halides, and pinacolborane. The transformation results in hydrofunctionalization of both π-bonds of an alkyne in a single reaction promoted by cooperative action of a Cu/Pd catalyst system. The differential dihydrofunctionalization reaction has excellent substrate scope and can be accomplished in the presence of esters, nitriles, alkyl halides, epoxides, acetals, alkenes, aryl halides, and silyl ethers. Mechanistic experiments indicate that the reaction proceeds through Cu-catalyzed hydroboration followed by a 2nd hydrocupration. The resulting heterobimetallic complex is the key intermediate that participates in the subsequent Pd-catalyzed cross-coupling, which furnishes benzylic alkyl boronate products.

Journal of the American Chemical Society published new progress about 1160556-64-8. 1160556-64-8 belongs to quinuclidine, auxiliary class Mono-phosphine Ligands, name is 2′-(Dicyclohexylphosphino)-N2,N2,N6,N6-tetramethyl-[1,1′-biphenyl]-2,6-diamine, and the molecular formula is C28H41N2P, Related Products of quinuclidine.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider

Santos, Sadella C. published the artcileEffect of microcapsule content on Diels-Alder room temperature self-healing thermosets, Computed Properties of 1761-71-3, the publication is Polymers (Basel, Switzerland) (2020), 12(12), 3064, database is CAplus and MEDLINE.

A furan functionalized epoxy-amine thermoset with an embedded microcapsule healing system that utilizes reversible Diels-Alder healing chem. was used to investigate the influence of microcapsule loading on healing efficiency. A urea-formaldehyde encapsulation technique was used to create capsules with an average diameter of 150μm that were filled with a reactive solution of bismaleimide in Ph acetate. It was found that optimum healing of the thermoset occurred at 10 weight% microcapsule content for the compositions investigated. The diffusion of solvent through the crack interface and within fractured samples was investigated using anal. diffusion models. The decrease in healing efficiency at higher microcapsule loading was attributed partially to solvent-induced plasticization at the interface. The diffusion anal. also showed that the 10% optimum microcapsule concentration occurs for systems with the same interfacial solvent concentration This suggests that addnl. phys. and chem. phenomena are also responsible for the observed optimum. Such phenomena could include a reduction in surface area available for healing and the saturation of interfacial furan moieties by reaction with increasing amounts of maleimide. Both would result from increased microcapsule loading.

Polymers (Basel, Switzerland) published new progress about 1761-71-3. 1761-71-3 belongs to quinuclidine, auxiliary class Ploymers, name is 4,4-Diaminodicyclohexyl methane, and the molecular formula is C13H26N2, Computed Properties of 1761-71-3.

Referemce:
https://en.wikipedia.org/wiki/Quinuclidine,
Quinuclidine | C7H13N | ChemSpider