Catalysis-chemistry

Wu, Ting-Feng published the artcileZirconium-redox-shuttled cross-electrophile coupling of aromatic and heteroaromatic halides, Recommanded Product: 4,4′-Dimethyldiphenyl, the publication is Chem (2021), 7(7), 1963-1974, database is CAplus and MEDLINE.

Herein, a homogeneous XEC method, which relied on a zirconaaziridine complex as a shuttle for dual palladium-catalyzed processes was reported. The zirconaaziridine-mediated palladium (ZAPd)-catalyzed reaction showed excellent compatibility with various functional groups and diverse heteroaromatic scaffolds. In accord with d. functional theory (DFT) calculations, a redox transmetallation between the oxidative addition product and the zirconaaziridine was proposed as the crucial elementary step. Thus, cross-coupling selectivity using a single transition metal catalyst was controlled by the relative rate of oxidative addition of Pd(0) into the aromatic halide. Overall, the concept of a combined reducing and transmetallating agent offered opportunities for the development of transition metal reductive coupling catalysis.

Chem published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C18H26ClN3O, Recommanded Product: 4,4′-Dimethyldiphenyl.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Chen, Jianguo published the artcileSynthesis of Cyclic Ethers with Fluorinated Side Chains, Computed Properties of 1206-46-8, the publication is Inorganic Chemistry (1996), 35(6), 1590-601, database is CAplus and MEDLINE.

Di-tert-Bu peroxide initiated free radical addition of THF to various fluorinated alkenes (CF₂:CH₂, CF₂:CFH, CH₂:CHCF₃, CF₂:CFCF₃, CF₂:CFC₅F₁₁, CF₂:CFOCF₂CF(CF₃)OCF₂CF₂SO₂F) gives either bidirectional addition products 2-R-THF (R = CF₂CH₃ (1), CH₂CHF₂ (2), CF₂CH₂F (3), and CFHCHF₂ (4)) or unidirectional products (R = CH₂CH₂CF₃ (5), CF₂CHFCF₃ (6), CF₂CHFC₅F₁₁ (7), and CF₂CHFOCF₂CF(CF₃)OCF₂CF₂SO₂F (8)) depending on the structure of the alkene. Reaction of dioxane with CF₂:CFOCF₂CF(CF₃)OCF₂CF₂SO₂F gives a single product 2-R-dioxane, R = CF₂CHFOCF₂CF(CF₃)OCF₂CF₂SO₂F (9). In the case of hexafluoropropene or perfluoroallylbenzene, reaction with an excess of THF gives only the monosubstituted products 2-R-THF (R = CF₂CHFCF₃ (6) and CF₂CFHCF₂C₆F₅ (11)) resp. When THF is reacted with a 3:1 M excess of the same two perfluoroalkenes, the disubstituted products 2,5-R₂-THF (R = CF₂CHFCF₃ (10) and CF₂CFHCF₂C₆F₅ (12)) are formed resp. When 18-crown-6 is reacted in the same way with fluoroalkenes in a 1:1 molar ratio, the monosubstituted products 18-crown-6-CH₂CH₂CF₃ (13), 18-crown-6-CF₂CHFCF₃ (14), 18-crown-6-CF₂CFHCF₂C₆F₅ (15), and 18-crown-6-CF₂CHFOCF₂CF(CF₃)OCF₂CF₂SO₂F (16) were obtained. Polyfluorinated 18-crown-6 products containing three and two polyfluroalkyl/aryl groups were prepared when 18-crown-6 is reacted with a 3:1 M excess of perfluoropropene and perfluoroallylbenzene to give 18-crown-6-(CF₂CHFCF₃)₃ (17) and 18-crown-6-(CF₂CFHCF₂C₆F₅)₂ (18), resp. (Pentafluorophenoxy)trimethylsilane reacts with 11 in the presence of a catalytic amount of CsF to give compound 2-R-THF, R = CF₂CFHCF₂C₆F₄OC₆F₅ (19). Two mols. of 11 are bridged by reaction with Me₃SiOCH₂CF₂CF₂CH₂OSiMe₃ to give THF-CF₂CFHCF₂C₆F₄OCH₂CF₂CF₂CH₂OC₆F₄CF₂CHFCF₂-THF (20), while 12 forms the macroheterocycle 2,5-R’-THF, R’ = -CF₂CFHCF₂C₆F₄OCH₂CF₂CF₂CH₂OC₆F₄CF₂CFHCF₂– (21) under similar reaction conditions. The La triflate complexes of 18-crown-6 (22) and 18-crown-6(CF₂CFHCF₃) (23) were prepared and the structures were obtained via single-crystal x-ray anal. Although crystals suitable for single-crystal x-ray anal. could not be formed, La triflate complexes were formed with polyfluorinated ethers 15 and 16 to give the fluorinated complexes La(OSO₂CF₃)₃(18-crown-6-CF₂CFHCF₂C₆F₅)(H₂O) (24) and [La(18-crown-6-CF₂CFHOCF₂C(CF₃)FOCF₂CF₂SO₂F)]³⁺[CF₃SO₃^–]₃ (25) resp. The acid salt La[N(SO₂CF₃)₂]₃ (26) was also prepared and characterized, and reacted with dibenzo-18-crown-6 to give the complex dibenzo-18-crown-6-La[N(SO₂CF₃)₂]₃ (27).

Inorganic Chemistry published new progress about 1206-46-8. 1206-46-8 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is Trimethyl(perfluorophenyl)silane, and the molecular formula is C9H9F5Si, Computed Properties of 1206-46-8.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Leimbacher, Markus published the artcileDiscovery of Small-Molecule Interleukin-2 Inhibitors from a DNA-Encoded Chemical Library, Application In Synthesis of 1860-58-8, the publication is Chemistry – A European Journal (2012), 18(25), 7729-7737, S7729/1-S7729/120, database is CAplus and MEDLINE.

Libraries of chem. compounds individually coupled to encoding DNA tags (DNA-encoded chem. libraries) hold promise to facilitate exceptionally efficient ligand discovery. We constructed a high-quality DNA-encoded chem. library comprising 30 000 drug-like compounds; this was screened in 170 different affinity capture experiments High-throughput sequencing allowed the evaluation of 120 million DNA codes for a systematic anal. of selection strategies and statistically robust identification of binding mols. Selections performed against the tumor-associated antigen carbonic anhydrase IX (CA IX) and the pro-inflammatory cytokine interleukin-2 (IL-2) yielded potent inhibitors with exquisite target specificity. The binding mode of the revealed pharmacophore against IL-2 was confirmed by mol. docking. Our findings suggest that DNA-encoded chem. libraries allow the facile identification of drug-like ligands principally to any protein of choice, including mols. capable of disrupting high-affinity protein-protein interactions.

Chemistry – A European Journal published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, Application In Synthesis of 1860-58-8.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Fang, Ze-Yu published the artcileDesign, Synthesis and Molecular Docking of Novel Quinazolinone Hydrazide Derivatives as EGFR Inhibitors, HPLC of Formula: 118-90-1, the publication is Chemistry & Biodiversity (2022), 19(6), e202200189, database is CAplus and MEDLINE.

A series of novel quinazolinone hydrazide derivatives were designed and synthesized as EGFR inhibitors. The results indicated that most of the aimed compounds had potential anti-tumor cell proliferation and EGFR inhibitory activities. In the comprehensive anal. of all the tested compounds, the target compound 9c showed the best anti-tumor cell proliferation activity, (IC50=1.31 ¦ÌM for MCF-7, IC50=1.89 ¦ÌM for HepG2, IC50=2.10 ¦ÌM for SGC), and IC50=0.59 ¦ÌM for the EGFR inhibitory activity. Docking results showed that compound 9c could ideally insert the active site and interact with the critical amino acid residues (Val702, Lys721, Met769, Asp831) in the active site.

Chemistry & Biodiversity published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C8H8O2, HPLC of Formula: 118-90-1.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Yi, Xin published the artcileLigands binding and molecular simulation: the potential investigation of a biosensor based on an insect odorant binding protein, Application In Synthesis of 30670-30-5, the publication is International Journal of Biological Sciences (2015), 11(1), 75-87, 13 pp., database is CAplus and MEDLINE.

Based on mimicking biol. olfaction, biosensors have been applied for the detection of various ligands in complex environment, which could represent one of the most promising research fields. In this study, the basic characters of one insect odorant binding protein (OBP) as a biosensor were explored. To explore the mol. recognition process, the tertiary structure of the protein was modeled and the protein-ligand interactions with 1,536,550 chems. were investigated by the mol. docking. The availability of large amount of recombinant SlitOBP1 overcame the difficulty to obtain biol. sensing material. After obtained the purified recombinant protein, the result of fluorescence binding assays proved the candidate protein has good affinities with the majority of the tested chems. With the aid of simulation docking, the key conserved amino acids within the binding site were identified and then mutated to alanine. After mutation, the protein-ligand binding characteristics were recorded, and the competitive binding assays were carried out to provide exptl. verification. The detailed information on its structure and affinities investigated in this study could allow the design of specific mutants with desired characteristics, which provides a solid base for tailoring OBP for biosensor and provides a role model for screening the other elements in olfactory system for different applications.

International Journal of Biological Sciences published new progress about 30670-30-5. 30670-30-5 belongs to catalysis-chemistry, auxiliary class Polyfluoroalkanes, name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecan-1-amine, and the molecular formula is C15H10O2, Application In Synthesis of 30670-30-5.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Chen, Gaozhi published the artcileDiscovery of a New Inhibitor of Myeloid Differentiation 2 from Cinnamamide Derivatives with Anti-Inflammatory Activity in Sepsis and Acute Lung Injury, Name: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, the publication is Journal of Medicinal Chemistry (2016), 59(6), 2436-2451, database is CAplus and MEDLINE.

Acute inflammatory diseases, including acute lung injury and sepsis, remain the most common life-threatening illness in intensive care units worldwide. Cinnamamide has been incorporated in several synthetic compounds with therapeutic potentials including anti-inflammatory properties. However, the possible mechanism and direct mol. target of cinnamamides for their anti-inflammatory effects were rarely investigated. In this study, we synthesized a series of cinnamamides and evaluated their anti-inflammatory activities. The most active compound, 2i, was found to block LPS-induced MD2/TLR4 pro-inflammatory signaling activation in vitro and to attenuate LPS-caused sepsis and acute lung injury in vivo. Mechanistically, we demonstrated that 2i exerts its anti-inflammatory effects by directly targeting and binding MD2 in Arg90 and Tyr102 residues and inhibiting MD2/TLR4 complex formation. Taken together, this work presents a novel MD2 inhibitor, 2i, which has the potential to be developed as a candidate for the treatment of sepsis, and provides a new lead structure for the development of anti-inflammatory agents targeting MD2.

Journal of Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Name: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhang, Keyang published the artcilePalladium/Zinc Co-Catalyzed Asymmetric Hydrogenation of ¦Ã-Keto Carboxylic Acids, Related Products of catalysis-chemistry, the publication is Chemistry – An Asian Journal (2021), 16(10), 1229-1232, database is CAplus and MEDLINE.

A palladium-catalyzed asym. hydrogenation of levulinic acid has been successful developed by using Zn(OTf)₂ as co-catalyst. The present method not only has provided a strategy in the palladium-catalyzed asym. hydrogenation of ketones RC(O)(CH₂)₂C(O)OH (R = C₆H₅, cyclohexyl, 2-naphthyl, etc.), but also allowed the preparation of a wide range of chiral ¦Ã-valerolactones (R/S)-I in good yields with excellent enantioselectivities.

Chemistry – An Asian Journal published new progress about 2051-95-8. 2051-95-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ketone, name is 3-Benzoylpropionicacid, and the molecular formula is C10H2F12NiO4, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Zhu, Bao-Yong published the artcileSynthesis and characterization of four coordination polymers constructed with d¹⁰ metals and mixed flexible ligands under solvothermal conditions, Computed Properties of 5411-14-3, the publication is Inorganica Chimica Acta (2012), 58-65, database is CAplus.

Solvothermal reactions of flexible 1,2-phenylenedioxydiacetic acid (H₂PDA) or hydroquinone-O,O’-diacetic acid (H₂QDA) with zinc nitrate or cadmium nitrate in the presence of auxiliary 1,1′-(1,4-butanediyl)bis(imidazole) (BBI) ligand gave rise to four coordination polymers, namely, {[Zn(PDA)(BBI)]¡¤3H₂O}_n (1), {[Zn(PDA)(BBI)]¡¤DMF}_n (2), {[Cd₂(QDA)(BBI)]¡¤4H₂O}_n (3), [Cd(QDA)(BBI)]_n (4). All the compounds were characterized by elemental anal., IR and single-crystal x-ray diffraction methods. Compound 1 exhibits a puckered (2D) (4, 4) grid net with a Schlafli symbol of 4⁴ 6². Compound 2 has the dinuclear Zn₂(PDA)₂ “loops” which are further connected by BBI ligands into 2D sheet along (0 1 -1) plane with a Schlafli symbol of 2.6⁵. Interestingly, the Zn₂(PDA)₂ “loops” are penetrated by BBI ligands of the other equivalent net. Thus an unusual 2D polyrotaxane-like structure is formed containing rotaxane-like motifs. Compound 3 possesses a three-dimensional (3D) diamond-type network with a Schlafli symbol of 6⁶. Compound 4 has the dinuclear cadmium core as the node and shows a 3D threefold interpenetrating 8-connected unimodal network with a Schlafli symbol of 3⁶4¹⁸5³6. The structural differences of these complexes give some insights into the effect of solvent on the construction of coordination polymers with the same components under solvothermal conditions. In addition, the fluorescent properties of 1–4 were also investigated.

Inorganica Chimica Acta published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C42H63O3P, Computed Properties of 5411-14-3.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Hou, Huan-Fu published the artcilecatena-Poly[[[diaquacadmium]-¦Ì-2,2′-(1,2-phenylenedioxy)diacetato] monohydrate], COA of Formula: C10H10O6, the publication is Acta Crystallographica, Section E: Structure Reports Online (2011), 67(3), m342, Sm342/1-Sm342/10, database is CAplus and MEDLINE.

In the title coordination complex, {[Cd(C₁₀H₈O₆)(H₂O)₂]¡¤H₂O}_n the Cd^II atom is seven-coordinated in a distorted pentagonal-bipyramidal geometry, the pentagonal plane comprising four O-atom donors from the 2,2′-(1,2-phenylenedioxy)diacetate chelate ligand together with a bridging carboxylate O-atom donor, with the axial sites occupied by two H₂O mols. The resulting helical chains extend along the b axis and are interconnected by extensive O-H¡¤¡¤¡¤O H-bonding interactions, which also involve the H₂O mol. of solvation, giving a three-dimensional structure. Crystallog. data and at. coordinates are given.

Acta Crystallographica, Section E: Structure Reports Online published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, COA of Formula: C10H10O6.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Wang, Sheng published the artcileI₂-Mediated oxidative bicyclization of 4-pentenamines to prolinol carbamates with CO₂ incorporating oxyamination of the C=C bond, Application of 2,2-Diallylpent-4-en-1-amine, the publication is Green Chemistry (2017), 19(19), 4515-4519, database is CAplus.

A metal-free oxyamination reaction of alkenes with ambient CO₂ has been reported. In the presence of I₂ and DBU, CO₂ is applied in situ as a protecting group to regulate the nucleophilicity of the amino group and facilitate the bicyclization of 4-pentenamines, e.g., 2,2-diphenylhex-5-en-1-amine with high chemoselectivity. Moreover, this reaction provided a feasible approach to prepare prolinol carbamates, e.g., 6,6-diphenyltetrahydro-1H-oxazolo[3,4-a]pyridin-3(5H)-one with good tolerance of functional groups and high efficiency under mild conditions.

Green Chemistry published new progress about 928836-00-4. 928836-00-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain, name is 2,2-Diallylpent-4-en-1-amine, and the molecular formula is C9H9ClN2, Application of 2,2-Diallylpent-4-en-1-amine.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia