Tag: M.W=200-250

Cheredilin, D. N.; Sheloumov, A. M.; Senin, A. A.; Kozlova, G. A.; Afanas’ev, V. V.; Bespalova, N. B. published the artcile< Catalytic Properties of Chromium Complexes Based on 1,2-Bis(diphenylphosphino)benzene in the Ethylene Oligomerization Reaction>, Formula: C9H12BrN, the main research area is ethylene oligomerization bisdiphenylphosphinobenzene chromium complex catalytic property.

The activity of the catalyst systems of a number of diphosphine ligands and chromium complexes based on 1,2-bis(diphenylphosphino)benzene in the ethylene oligomerization reaction has been studied. Structural modifications of diphosphine ligands have been performed to create selective catalyst systems for ethylene oligomerization. It has been shown that the introduction of ortho-functional groups into one of the Ph substituents at the phosphorus atom in diphosphine ligands makes it possible to carry out the process of ethylene oligomerization to 1-hexene with the selectivity of 90 weight% and above. One of the complexes (chromium complex 15) with a functionalized diphosphine ligand has been characterized by X-ray structure anal. The influence of the change in the amount of the activator and its type on the activity of the catalyst systems has been studied. It has been shown that the replacement of some organoaluminum activator, methylaluminoxane, by trimethylaluminum does not decrease the productivity and selectivity of the catalyst systems based on diphosphine chromium complexes.

Petroleum Chemistry published new progress about Crystal structure. 51605-97-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H12BrN, Formula: C9H12BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhang, Qian-Qian; Li, Yaokai; Wang, Di; Chen, Zeng; Li, Yuhao; Li, Shuixing; Zhu, Haiming; Lu, Xinhui; Chen, Hongzheng; Li, Chang-Zhi published the artcile< Intrinsically Chemo- and Thermostable Electron Acceptors for Efficient Organic Solar Cells#>, SDS of cas: 6942-39-8, the main research area is organic solar cell heterojunction stability.

The traditional preparation of non-fullerene acceptors (NFAs) via Knoevenagel condensation reaction (KCR) of aldehyde and active methylene leaves vulnerable and reversible exocyclic vinyl bonds in structures, which undermine the intrinsic chemo- and photostability of NFAs. In this work, we demonstrate a new access to acceptor-donor-acceptor (A-D-A) NFAs via Stille coupling between new electron deficient groups and classic donor core in over 90% yield, wherein the robust carbon-carbon bonds, replacing the exocyclic double bonds from traditional KCR, result in stable A-D-A acceptors, Q1-XF (X representing 0, 2 and 4 fluorine atoms, resp.). Among the three studied examples, Q1-4F exhibits improved optoelectronic and electron transport properties, leading to the best photovoltaic performance with optimal charge kinetics for Q1-4F based OSCs. Overall, this strategy can lead to a new way for developing stable photovoltaic materials.

Bulletin of the Chemical Society of Japan published new progress about Electric current-potential relationship. 6942-39-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H6BrFO2, SDS of cas: 6942-39-8.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kudisch, Max; Lim, Chern-Hooi; Thordarson, Pall; Miyake, Garret M. published the artcile< Energy Transfer to Ni-Amine Complexes in Dual Catalytic, Light-Driven C-N Cross-Coupling Reactions>, Safety of 3-Bromobenzotrifluoride, the main research area is energy transfer cross coupling reaction photocatalyst.

Dual catalytic light-driven cross-coupling methodologies utilizing a Ni(II) salt with a photocatalyst (PC) have emerged as promising methodologies to forge aryl C-N bonds under mild conditions. The recent discovery that the PC can be omitted and the Ni(II) complex directly photoexcited suggests that the PC may perform energy transfer (EnT) to the Ni(II) complex, a mechanistic possibility that has recently been proposed in other systems across dual Ni photocatalysis. Here, we report the first studies in this field capable of distinguishing EnT from electron transfer (ET), and the results are consistent with Förster-type EnT from the excited state [Ru(bpy)3]Cl2 PC to Ni-amine complexes. The structure and speciation of Ni-amine complexes that are the proposed EnT acceptors were elucidated by crystallog. and spectroscopic binding studies. With the acceptors known, quant. Förster theory was utilized to predict the ratio of quenching rate constants upon changing the PC, enabling selection of an organic phenoxazine PC that proved to be more effective in catalyzing C-N cross-coupling reactions with a diverse selection of amines and aryl halides.

Journal of the American Chemical Society published new progress about C-N bond. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Safety of 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Darcy, Julia W.; Kolmar, Scott S.; Mayer, James M. published the artcile< Transition State Asymmetry in C-H Bond Cleavage by Proton-Coupled Electron Transfer>, COA of Formula: C9H9BrO3, the main research area is fluorenylbenzoate oxidation lactone multiple site concerted proton electron transfer.

The selective transformation of C-H bonds is a longstanding challenge in modern chem. A recent report details C-H oxidation via multiple-site concerted proton-electron transfer (MS-CPET), where the proton and electron in the C-H bond are transferred to sep. sites. Reactivity at a specific C-H bond was achieved by appropriate positioning of an internal benzoate base. Here, we extend that report to reactions of a series of mols. with differently substituted fluorenyl-benzoates and varying outer-sphere oxidants. These results probe the fundamental rate vs. driving force relationships in this MS-CPET reaction at carbon by sep. modulating the driving force for the proton and electron transfer components. The rate constants depend strongly on the pKa of the internal base, but depend much less on the nature of the outer-sphere oxidant. These observations suggest that the transition states for these reactions are imbalanced. D. functional theory (DFT) was used to generate an internal reaction coordinate, which qual. reproduced the exptl. observation of a transition state imbalance. Thus, in this system, homolytic C-H bond cleavage involves concerted but asynchronous transfer of the H+ and e-. The nature of this transfer has implications for synthetic methodol. and biol. systems.

Journal of the American Chemical Society published new progress about Activation enthalpy. 17100-65-1 belongs to class bromides-buliding-blocks, and the molecular formula is C9H9BrO3, COA of Formula: C9H9BrO3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Fouque, Amelie; Delalande, Olivier; Jean, Mickael; Castellano, Remy; Josselin, Emmanuelle; Malleter, Marine; Shoji, Kenji F.; Hung, Mac Dinh; Rampanarivo, Hariniaina; Collette, Yves; van de Weghe, Pierre; Legembre, Patrick published the artcile< Correction to A Novel Covalent mTOR Inhibitor, DHM25, Shows in Vivo Antitumor Activity against Triple-Negative Breast Cancer Cells [Erratum to document cited in CA163:325630]>, Category: bromides-buliding-blocks, the main research area is covalent mTOR inhibitor DHM25 antitumor breast cancer erratum.

The plots for T47-D cells in Figure 2A are incorrect; the corrected figure is provided here.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Gozdalik, Jan T.; Marek, Paulina H.; Madura, Izabela D.; Gierczyk, Blazej; Popenda, Lukasz; Schroeder, Grzegorz; Adamczyk-Wozniak, Agnieszka; Sporzynski, Andrzej published the artcile< Structures and properties of trifluoromethylphenylboronic acids>, Name: 3-Bromobenzotrifluoride, the main research area is trifluoromethylphenylboronic acid hydrogen bond energy crystal structure UV spectra.

Three isomers of trifluoromethylphenylboronic acids were synthesized and characterized by 1H, 13C, 11B and 19F NMR. The investigated compounds exhibit high resistance to protodeboronation reaction. Mol. and crystal structure of these compounds was determined by single crystal XRD method. The compounds form typical hydrogen-bonded dimers with the syn-anti conformation. CF3 substituent does not interact with boronic moiety neither as hydrogen bond acceptor nor a lone-electron pair donor. pKa values of the isomers have been determined by spectrophotometric and potentiometric method. Introduction of the CF3 group increases the acidity for meta and para isomers in comparison to the phenylboronic acid, while for the ortho isomer the acidity is reduced due to the steric hindrance.

Journal of Molecular Structure published new progress about Acidity. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Name: 3-Bromobenzotrifluoride.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Henry, Sean P.; Fernandez, Thomas J.; Anand, Jessica P.; Griggs, Nicholas W.; Traynor, John R.; Mosberg, Henry I. published the artcile< Structural Simplification of a Tetrahydroquinoline-Core Peptidomimetic μ-Opioid Receptor (MOR) Agonist/δ-Opioid Receptor (DOR) Antagonist Produces Improved Metabolic Stability>, Computed Properties of 29124-57-0, the main research area is tetrahydroquinoline core peptidomimetic MOR DOR antagonist metabolic stability.

We have previously reported a series of μ-opioid receptor (MOR) agonist/δ-opioid receptor (DOR) antagonist ligands to serve as potential nonaddictive opioid analgesics. These ligands have been shown to be active in vivo, do not manifest withdrawal syndromes or reward behavior in conditioned-place preference assays in mice, and do not produce dependence. Although these attributes are promising, these analogs exhibit poor metabolic stability in mouse liver microsomes, likely due to the central tetrahydroquinoline scaffold in this series. As such, a structure-activity relationship (SAR) campaign was pursued to improve their metabolic stability. This resulted in a shift from our original bicyclic tetrahydroquinoline core to a monocyclic benzylic-core system. By eliminating one of the rings in this scaffold and exploring the SAR of this new core, two promising analogs were discovered. These analogs (5l and 5m) had potency and efficacy values at MOR better or comparable to morphine, retained their DOR-antagonist properties, and showed a 10-fold improvement in metabolic stability.

Journal of Medicinal Chemistry published new progress about Analgesia. 29124-57-0 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO, Computed Properties of 29124-57-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Djukanovic, Dimitrije; Heinz, Benjamin; Mandrelli, Francesca; Mostarda, Serena; Filipponi, Paolo; Martin, Benjamin; Knochel, Paul published the artcile< Continuous Flow Acylation of (Hetero)aryllithiums with Polyfunctional N,N-Dimethylamides and Tetramethylurea in Toluene>, Reference of 401-78-5, the main research area is acylation aromatic amide urea aryllithium preparation aryl diaryl ketone; aryl ketone functionalized unsym preparation acylation aryllithium amide urea; flow reaction acylation aryllithium amide urea preparation ketone; acylation; amide; continuous flow; lithium; toluene.

The continuous flow reaction of various aryl or heteroaryl bromides in toluene in the presence of THF (1.0 equiv) with sec-BuLi (1.1 equiv) provided at 25° within 40 s the corresponding aryllithiums which were acylated with various functionalized N,N-dimethylamides including easily enolizable amides at -20° within 27 s, producing highly functionalized ketones in 48-90% yield (36 examples). This method was well suited for the preparation of α-chiral ketones such as naproxen and ibuprofen derived ketones with 99% ee. A one-pot stepwise bis-addition of two different lithium organometallics to 1,1,3,3-tetramethylurea (TMU) provided unsym. ketones in 69-79% yield (9 examples).

Chemistry – A European Journal published new progress about Acylation. 401-78-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrF3, Reference of 401-78-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin published the artcile< Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams>, Reference of 3893-18-3, the main research area is enantioselective Michael cyclization amideoxindole unsaturated aldehyde; spirocyclic oxindole lactam preparation.

The first organocatalytic enantioselective Michael/cyclization domino reaction between 3-amideoxindoles and α,β-unsaturated aldehydes is described. After sequential oxidation with pyridinium chlorochromate, a direct and one-pot preparation of highly sterically hindered spirocyclic oxindole-γ-lactams was achieved in 51-81% yields with 75-97% ee and ≤80/20 dr.

Journal of Organic Chemistry published new progress about Crystal structure. 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Reference of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Qinglin; Liu, Qian; Chen, Yurong; Li, Yinle; Su, Hui; Liu, Qinghua; Li, Guangqin published the artcile< Ir nanoclusters confined within hollow MIL-101(Fe) for selective hydrogenation of α,β-unsaturated aldehyde>, Formula: C9H7BrO, the main research area is MIL 101 Fe support iridium nanocatalyst preparation surface area; alkenyl aldehyde iridium catalyst selective hydrogenation; unsaturated alchol preparation.

Although the selective hydrogenation of α,β-unsaturated aldehyde to unsaturated alc. (UOL) is an extremely important transformation, it is still a great challenge to achieve high selectivity to UOL due to thermodn. favoring of the C=C hydrogenation over the C=O hydrogenation. Herein, iridium nanoclusters (Ir NCs) confined within hollow MIL-101(Fe) expresses satisfied reaction activity (93.9%) and high selectivity (96.2%) for the hydrogenation of cinnamaldehyde (CAL) to cinnamyl alc. (COL) under 1 bar H2 atmosphere and room temp were reported. The unique hollow structure of MIL-101(Fe) benefited for the fast transport of reactant, ensuring the comparable reaction activity and better recyclability of Ir@MIL-101(Fe) than the counterparts which Ir NCs were on the surface of MIL-101(Fe). Furthermore, the XPS data indicatds the electropos. Ir NCs, owing to the electron transfer from Ir to MIL-101(Fe), can interact with oxygen lone pairs and Fourier transform IR spectrum showed the Lewis acid sites in MIL-101(Fe) can strongly interact with C=O bond, which contributed to a high selectivity for COL. This work suggested the considerable potential of synergetic effect between hollow MOFs and metal nanoclusters for selective hydrogenation reactions.

Chinese Chemical Letters published new progress about Alcohols, unsaturated Role: SPN (Synthetic Preparation), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Formula: C9H7BrO.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary