Tag: M.W=150-200

Du, Shaoqing; Hu, Xueping; Shao, Xusheng; Qian, Xuhong published the artcile< Novel trifluoromethyl sydnone derivatives: Design, synthesis and fungicidal activity>, Recommanded Product: 4-Bromobenzylamine, the main research area is trifuoromethyl sydnone derivative preparation antifungal; Antifungal; Mesoionic; Sydnone; Trifluoromethyl.

In this study, a series of noval sydnone mesoionic derivatives I (R1 = H, Ph, 3-trifluoromethylphenyl, 3,5-dichlorophenyl; R2 = 3-trifluoromethylphenyl, tetrahydrofuran-2-yl, cylcopropyl, etc.) by active substructure splicing were designed and synthesized. All compounds were characterized using 1H and 13C NMR spectroscopy. Among them, trifluoromethyl compound I (R1 = R2 = 3-trifluoromethylphenyl) showed good bioactivity against Pseudoperonospora cubensis (EC50 = 49 mg L-1) in vivo, the activity was similar to that of the control Kresoxim-Me (EC50 = 44 mg L-1). However, the target of these compounds should not only be tyrosinase, and the mode of action needs to be further studied. In addition, the structure-activity relationship indicated that the trifluoromethyl group was more beneficial for antifungal activity. This is the first report that fluorine-containing N(3)-benzyl sydnone compounds have good fungicidal activity. These results will provide a basis for the development of sydnone mesoionic as new lead fungicidal agents.

Bioorganic & Medicinal Chemistry Letters published new progress about Agrochemical fungicides. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shon, Jong-Hwa; Sittel, Steven; Teets, Thomas S. published the artcile< Synthesis and characterization of strong cyclometalated iridium photoreductants for application in photocatalytic aryl bromide hydrodebromination>, Computed Properties of 576-83-0, the main research area is iridium photoredox catalyst hydrodebromination.

A series of potent bis-cyclometalated iridium photoreductants with electron-rich β-diketiminate (NacNac) ancillary ligands is described. Structure-property anal. reveals that substituent modification of the NacNac ligands has a large effect on the ground-state IrIV/IrIII potential, which shifts cathodically as the NacNac is made more electron-rich. In addition, the excited-state IrIV/*IrIII potentials are ca. 300-500 mV more neg. than that of fac-Ir(ppy)3 (ppy = 2-phenylpyridine), indicating that these compounds have much more reducing excited states. Rate constants for excited-state electron transfer between these photosensitizers and benzophenone are ∼2-3 times faster than fac-Ir(ppy)3, demonstrating that these complexes are both kinetically and thermodynamically more potent for excited-state electron transfer. We use these photosensitizers to optimize a simple reaction procedure for photocatalytic debromination of aryl bromide substrates, which requires only the photosensitizer, blue light, and an amine base, without silanes or other additives that are used in previously reported methods.

ACS Catalysis published new progress about Aromatic nitrogen heterocycles, aromatic nitrogen heterocycle transition metal complexes Role: CAT (Catalyst Use), PRP (Properties), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Computed Properties of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kocen, Andrew L.; Cui, Shilin; Lin, Ting-Wei; LaPointe, Anne M.; Coates, Geoffrey W. published the artcile< Chemically Recyclable Ester-Linked Polypropylene>, Application of C9H11Br, the main research area is recyclable ester polypropylene.

Polyolefins represent the largest class of commodity materials due to their excellent material properties; however, they have limited pathways to chem. recycling and are often difficult to mech. recycle. Here we demonstrate a new catalyst for the isoselective copolymerization of propylene and butadiene capable of favoring 1,4-insertion over 1,2-insertion while maintaining good mol. weights and turnover frequencies. This isotactic propylene copolymer with main-chain unsaturation was depolymerized to a telechelic macromonomer using an olefin metathesis catalyst and 2-hydroxyethyl acrylate. After hydrogenation, the telechelic macromonomer was repolymd. to form an ester-linked polypropylene material. This polymer shows thermal and mech. properties comparable to linear low-d. polyethylene. Finally, the telechelic macromonomer could be regenerated through the depolymerization of the ester-linked polypropylene material, which allows for the chem. recycling to macromonomer. This process provides a route to transform partially unsaturated polyolefins to chem. recyclable materials with similar properties to their parent polymers.

Journal of the American Chemical Society published new progress about Aluminoxanes, Me Role: CAT (Catalyst Use), USES (Uses) (Methylaluminoxane). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Application of C9H11Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jia, Xiuquan; Ma, Jiping; Xia, Fei; Gao, Mingxia; Gao, Jin; Xu, Jie published the artcile< Switching acidity on manganese oxide catalyst with acetylacetones for selectivity-tunable amines oxidation>, Recommanded Product: 4-Bromobenzylamine, the main research area is manganese oxide acetylacetone switching acidity selectivity tunable amine oxidation.

The design of metal oxide catalysts predominantly focuses on the composition or geometry engineering to enable optimized reactivity on the surface. Despite the numerous reports investigating the surface chemisorption of organic mols. on metal oxides, insights into how adsorption of organic modifiers can be exploited to optimize the catalytic properties of metal oxides are lacking. Herein, we describe the use of enolic acetylacetones to modify the surface Lewis acid properties of manganese oxide catalysts. The acetylacetone modification is stable under the reaction conditions and strongly influences the redox-acid cooperative catalysis of manganese oxides. This enables a rational control of the oxidation selectivity of structurally diverse arylmethyl amines to become switchable from nitriles to imines.

Nature Communications published new progress about Adsorption. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sun, Jufeng; Ambrus, Joey I.; Baker, Jennifer R.; Russell, Cecilia C.; Cossar, Peter J.; Sakoff, Jennette A.; Scarlett, Christopher J.; McCluskey, Adam published the artcile< 3,5-Bis(trifluoromethyl)phenylsulfonamides, a novel pancreatic cancer active lead. Investigation of the terminal aromatic moiety>, Reference of 3959-07-7, the main research area is pancreatic cancer anticancer agent virtual screening.

Virtual screening identified N-(6-((4-bromobenzyl)amino)hexyl)-3,5-bis(trifluoromethyl)benzenesulfonamide (1) a lead compound that bound to the S100A2-p53 binding groove. S100A2 is a Ca2+ binding protein with implications in cell signaling and is known to be upregulated in pancreatic cancer. It is a validated pancreatic cancer drug target. Lead 1, inhibited the growth of the MiaPaCa-2 pancreatic cancer cell line (GI50 = 2.97 μM). Focused compound libraries were developed to explore the SAR of this compound class with 4 libraries and 43 compounds total. Focused library (Library 1) development identified lipophillic sulfonamides as preferred for MiaPaCa-2 activity, with -CF3 and -C(CH3)3 substituents well tolerated (MiaPaCa-2 GI50 < 6 μM). Contraction of the hexylamino spacer to Et (Library 2) and Pr (Library 3) proved beneficial to activity against a broad spectrum panel of cancer cell lines: HT29 (lung), MCF-7 (breast), A2780 (ovarian), H460 (colon), A431 (skin), Du145 (prostate), BE2-C (neuroblastoma), U87 and SJ-G2 (glioblastoma) (cohort-1); and a pancreatic cancer cell line panel: MiaPaCa-2, BxPC-3, AsPC-1, Capan-2, HPAC and PANC-1 (cohort-2). With a marked preference for a Pr linker the observed GI50 values ranged from 1.4 to 30 μM against cohort-1 and 1.4-30 μM against cohort-2 cell lines. In Library 4 the terminal aromatic moiety was explored with 4-substituted analogs preferred (with activity of 48 (4-Cl) > 47 (3-Cl) > 46 (2-Cl)) against the cell lines examined The introduction of bulky aromatic moieties was well tolerated, e.g. dihydrobenzo[b][1,4]dioxine (51) returned cohort-2 GI50 values of 1.2-3.4 μM. In all instances the observed docked binding poses and binding scores were consistent with the observed cytotoxicity. This in turn supports, but does not prove, that these analogs function via S100A2-p53 binding groove inhibition.

Bioorganic & Medicinal Chemistry Letters published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Reference of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xing, Qiaoyan; Xiao, Fuhong; Mao, Guojiang; Deng, Guo-Jun published the artcile< A Four-Component Reaction for the Synthesis of Thienopyrrolediones under Transition Metal Free Conditions>, Related Products of 188813-04-9, the main research area is thienopyrrole dione preparation green chem; aldehyde ketoamide multicomponent reaction.

A three-starting-material four-component reaction strategy is described to construct thienopyrrolediones (TPDs) I (R = H, Me, Et, Ph, Cy; R1 = Ph, naphthalen-2-yl, furan-2-yl, quinolin-8-yl, etc.; R2 = Ph, 4-(benzyloxy)phenyl, thiophen-2-yl, pyridin-3-yl, etc.) from the simplest raw materials, elemental sulfur, aldehydes R1CHO and R2CHO, and β-ketoamides e.g., 1-methylpyrrolidin-2-one, under transition metal free conditions. Compared with traditional multistep reaction sequences, this process is simple, efficient, environmentally friendly, and atom-economic and has laid the foundation for further development of an easily synthesized TPD unit.

Organic Letters published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 188813-04-9 belongs to class bromides-buliding-blocks, and the molecular formula is C8H7BrO, Related Products of 188813-04-9.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Suzaki, Yuji; Abe, Tomoko; Takei, Asami; Fukuchi, Yugo; Koizumi, Take-aki; Osakada, Kohtaro; Horie, Masaki published the artcile< Ferrocene-Containing Pseudorotaxanes in Crystals: Aromatic Interactions with Hammett Correlation>, Safety of 4-Bromobenzylamine, the main research area is ferrocene pseudorotaxane crystal structure aromatic interaction Hammett correlation; Hammett constants; aromatic interaction; crystal structure; pseudorotaxane.

Single crystals of pseudorotaxanes, [(FcCH2NH2CH2Ar)(DB24C8)][PF6] (DB24C8 = dibenzo[24]crown-8, Fc = Fe(C5H4)(C5H5), Ar = -C6H3-3,4-Cl2, -C6H3-3,4-F2, -C6H4-4-F, -C6H4-4-Cl, -C6H4-4-Br, -C6H3-3-F-4-Me, -C6H4-4-I) and [(FcCH2NH2CH2C6H4-4-Me)(DB24C8)][Ni(dmit)2] (dmit = 1,3-dithiole-2,4,5-dithiolate), were obtained from solutions containing DB24C8 and ferrocenylmethyl(arylmethyl)ammonium. X-ray crystallog. analyses of the pseudorotaxanes revealed that the aryl ring of the axle moiety and the catechol ring of the macrocyclic component were at close centroid distances and parallel or tilted orientation. The structures with parallel aromatic rings showed correlation of the distances between the centroids to Hammett substituent constants of the aryl groups.

Molecules published new progress about Aromatic compounds Role: PRP (Properties) (interaction). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Safety of 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sinai, Adam; Simko, Daniel Cs.; Szabo, Fruzsina; Paczal, Attila; Gati, Tamas; Benyei, Attila; Novak, Zoltan; Kotschy, Andras published the artcile< Aryl-Diadamantyl Phosphine Ligands in Palladium-Catalyzed Cross-Coupling Reactions: Synthesis, Structural Analysis, and Application>, Safety of 2,4,6-Trimethylbromobenzene, the main research area is aryl diadamantyl phosphine ligand palladium catalyst preparation coupling; Buchwald Hartwig tosyl hydrazone coupling.

Synthesis, temperature-dependent NMR structure study and use of a new, stable and easily accessible aryl-diadamantylphosphine ligand family is reported. The bulky and electron-rich phosphorus center of the ligand enhances the catalytic activity of palladium in cross-coupling reactions of sterically demanding ortho-substituted aryl halides. In the authors’ study, the authors demonstrated the synthetic applicability of the new phosphine ligands in Buchwald-Hartwig and tosyl hydrazone coupling reactions.

European Journal of Organic Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Safety of 2,4,6-Trimethylbromobenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wang, Qin; Li, Jin; Tu, Xianjun; Liu, Hongbo; Shu, Miao; Si, Rui; Ferguson, Calum T. J.; Zhang, Kai. A. I.; Li, Run published the artcile< Single Atomically Anchored Cobalt on Carbon Quantum Dots as Efficient Photocatalysts for Visible Light-Promoted Oxidation Reactions>, Product Details of C7H8BrN, the main research area is single atom cobalt carbon quantum dot photocatalyst coupling amine.

Generation of efficient light-induced charge separation inside the photocatalyst is an essential factor for a high catalytic efficiency. The usual immobilization of metal or metal oxide particles on semiconductor photocatalysts offers an uncontrolled assembly of active sites during the reaction. The introduction of single metal atoms on photocatalysts can lead to extremely high at. utilization and precise active sites. However, this approach is limited because of the lack of suitable photosensitizers for single atom immobilization. Here, we have designed photocatalytic carbon quantum dots with anchoring sites for single cobalt atoms in a defined Co-N4 structure via facile pyrolysis of vitamin B12. Carbon dots functioned as both light-harvesting antenna and support for the cobalt atom with high atom loadings up to 3.27 wt %. This new photocatalytic material demonstrated enhanced visible light absorption, efficient charge separation, and reduced electrochem. impedance, while single Co atoms acted as the active site with strong oxidative ability. As a result, the photocatalysts showed excellent visible light-promoted photocatalytic efficiency with oxygen evolution rates up to 168μmol h-1 g-1 via water oxidation, imine formation with high conversion (∼90%) and selectivity (>99%), and complete photodegradation of organic dyes.

Chemistry of Materials published new progress about Aromatic amines Role: PEP (Physical, Engineering or Chemical Process), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Product Details of C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Guo, Wei-Wei; Zhang, Chi; Ye, Ji-Jie; Liu, Zi-Kun; Chen, Kai; Wu, Chuan-De published the artcile< Suspending Ion Electrocatalysts in Charged Metal-Organic Frameworks to Improve the Conductivity and Selectivity in Electroorganic Synthesis>, Recommanded Product: 4-Bromobenzylamine, the main research area is suspended ion electrochem oxidation catalyst metal organic framework dehydrogenation; conductivity; electrocatalysis; electroselectivity; metal-organic frameworks; suspended ion catalysts.

Electroorg. synthesis is an environmentally friendly alternative to traditional synthetic methods; however, the application of this strategy is heavily hindered by low product selectivity. Metal-organic frameworks (MOFs) exhibit high selectivity in numerous catalytic reactions; however, poor conductivity heavily limits the application of MOFs in electroorg. synthesis. To realize the electrocatalytic application of MOFs in selective electroorg. synthesis, a practically applicable strategy by suspending ion electrocatalysts in charged MOFs is herein reported. This approach could markedly improve the product selectivity in electroorg. synthesis. In the electrocatalytic oxidative self-coupling of benzylamine experiments, the imine product selectivity is markedly improved from 61.3 to 94.9 %, when the MOF-based electrocatalyst is used instead of the corresponding homogeneous electrocatalyst under the identical conditions. Therefore, this work opens a new route to improve the product selectivity in electroorg. synthesis.

Chemistry – An Asian Journal published new progress about Adsorption. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary