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Synthetic Route of C6H4ClNO. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 5-Chloropicolinaldehyde, is researched, Molecular C6H4ClNO, CAS is 31181-89-2, about Synthesis and anti-staphylococcal activity of novel bacterial topoisomerase inhibitors with a 5-amino-1,3-dioxane linker moiety. Author is Li, Linsen; Okumu, Antony; Dellos-Nolan, Sheri; Li, Zoe; Karmahapatra, Soumendrakrishna; English, Anthony; Yalowich, Jack C.; Wozniak, Daniel J.; Mitton-Fry, Mark J..

Novel bacterial type II topoisomerase inhibitors (NBTIs) constitute a promising new class of antibacterial agents. The authors report a series of NBTIs with potent anti-staphylococcal activity and diminished hERG inhibition. Dioxane-linked compound N-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-2-(2-(6-methoxyquinolin-4-yl)ethyl)-trans-1,3-dioxan-5-amine demonstrated MICs ≤1μg/mL against both methicillin-susceptible (MSSA) and -resistant Staphylococcus aureus (MRSA), accompanied by reduced hERG inhibition as compared to cyclohexane- or piperidine-linked analogs.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Synthetic Route of C46H46O4P2Pd2. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: trans-Di-μ-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium, is researched, Molecular C46H46O4P2Pd2, CAS is 172418-32-5, about Anion-Accelerated Palladium-Catalyzed Intramolecular Coupling of Phenols with Aryl Halides.

A new procedure is described for the intramol. coupling of phenols with aryl halides. The coupling is promoted by a novel palladacyclic catalyst, formed from Pd(OAc)2 and P(o-tolyl)3, and is significantly accelerated using bases. E.g., Pd(OAc)2/P(o-tolyl)3 catalyzed the intramol. coupling of 3-HOC6H4OCH2C6H4I-2 in the presence of Cs2CO3 to give 94% I.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 172418-32-5, is researched, SMILESS is CC1=C([P]2([Pd+2]3([CH2-]C4=C2C=CC=C4)[O-]/C(C)=O[Pd+2]5([O-]/C(C)=O3)[P](C6=C(C)C=CC=C6)(C7=C([CH2-]5)C=CC=C7)C8=C(C)C=CC=C8)C9=C(C)C=CC=C9)C=CC=C1, Molecular C46H46O4P2Pd2Journal, Article, Chemistry – A European Journal called Palladium-catalyzed reactions for fine chemical synthesis. Part 20. Palladium catalyst systems for cross-coupling reactions of aryl chlorides and olefins, Author is Zapf, Alexander; Beller, Matthias, the main research direction is Heck coupling reaction trifluoromethylchlorobenzene olefin.SDS of cas: 172418-32-5.

A detailed investigation into the influence of phosphines, additives, bases, and solvents on the Heck coupling reaction of 4-trifluoromethyl-1-chlorobenzene is presented. It is shown that a number of catalyst systems exist for efficient cross coupling of electron-deficient aryl chlorides with various olefins. Basicity and steric demand of the ligand are two factors which determine the success of the reaction. In addition the phosphine/palladium ratio, the correct type and amount of additive, and finally the use of an appropriate base and solvent are also important. The optimized reaction conditions are applied for the arylation of styrene, 2-ethylhexyl acrylate and N,N-di-Me acrylic amide with various aryl chlorides.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Category: chiral-phosphine-ligands. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: trans-Di-μ-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium, is researched, Molecular C46H46O4P2Pd2, CAS is 172418-32-5, about Highly selective palladium-catalyzed Heck reactions of aryl bromides with cycloalkenes. Author is Hartung, Christian G.; Koehler, Klaus; Beller, Matthias.

The influence of palladium catalysts and reaction conditions on the selectivity of Heck reactions of aryl bromides ArBr (Ar = 4-AcC6H4, 3-F3CC6H4, Ph, 4-MeOC6H4) with cyclohexene and cyclopentene has been investigated. The addition of DMSO as a co-solvent leads to improved selectivities of nonconjugated aryl olefins. High selectivities for conjugated arylcyclopentenes was obtained with the catalytic system N,N-dimethylacetamide/Na2CO3/Pd2(dba)3·dba/PCy3.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Electric Literature of C46H46O4P2Pd2. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: trans-Di-μ-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium, is researched, Molecular C46H46O4P2Pd2, CAS is 172418-32-5, about Coordination chemistry and mechanisms of metal-catalyzed C-C coupling reactions. Part 5. Palladacycles as structurally defined catalysts for the Heck olefination of chloro- and bromoarenes. Author is Herrmann, Wolfgang A.; Brossmer, Christoph; Oefele, Karl; Reisinger, Claus-Peter; Priermeier, Thomas; Beller, Matthias; Fischer, Hartmut.

Palladacycle Heck reaction catalysts, e.g. the crystallog. characterized I (R= o-tolyl), have higher turn-over numbers and are more thermally stable than the conventionally formed catalytic adducts (Pd deposition during the reaction is minimal). Aryl chlorides as well as bromides are coupled with these catalysts in contrast to usual Heck reactions. The kinetics and salt effect (and lack of unified mechanism) on these reactions are discussed.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Microwave-Promoted Aminocarbonylations of Aryl Chlorides Using Mo(CO)6 as a Solid Carbon Monoxide Source, published in 2006-02-28, which mentions a compound: 172418-32-5, mainly applied to microwave alkoxycarbonylation aryl chloride molybdenum hexacarbonyl Herrmanns palladacycle catalyst, Recommanded Product: 172418-32-5.

Both electron-rich and electron-poor aryl chlorides serve as useful substrates in microwave-heated in situ aminocarbonylation reactions under noninert conditions. Both aliphatic amines and anilines provide benzamide products in good yields after only 15-25 min of irradiation The reaction was catalyzed by Herrmann’s palladacycle and [(t-Bu)3PH]BF4 in presence of DBU and Mo(CO)6.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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COA of Formula: C46H46O4P2Pd2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: trans-Di-μ-acetatobis[2-[bis(2-methylphenyl)phosphino]benzyl]dipalladium, is researched, Molecular C46H46O4P2Pd2, CAS is 172418-32-5, about Palladium-catalyzed reactions for fine chemical synthesis. 2. First palladium-catalyzed aminations of aryl chlorides. Author is Beller, Matthias; Riermeier, Thomas H.; Reisinger, Claus-Peter; Herrmann, Wolfgang A..

The palladium-catalyzed coupling reaction of aryl chlorides with various amines has been studied for the first time. Crucial for the success of this C-N bond forming reaction is the use of potassium tert-butoxide as base. Turn over numbers up to 900 and yields up to 80% have been obtained.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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SDS of cas: 40400-13-3. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about 4,8-Dimethylcoumarin Inhibitors of Intestinal Anion Exchanger slc26a3 (Downregulated in Adenoma) for Anti-Absorptive Therapy of Constipation. Author is Lee, Sujin; Cil, Onur; Haggie, Peter M.; Verkman, Alan S..

The chloride/bicarbonate exchanger SLC26A3 (down-regulated in adenoma, DRA) is expressed mainly in colonic epithelium where it dehydrates the stool by facilitating the final step of chloride and fluid absorption. SLC26A3 inhibition has predicted efficacy in various types of constipation including that associated with cystic fibrosis. We previously identified, by high-throughput screening, 4,8-dimethylcoumarin inhibitors of murine slc26a3 with IC50 down to ∼150 nM. Here, we synthesized a focused library of forty-three 4,8-dimethylcoumarin analogs. Structure-activity studies revealed the requirement of 4,8-dimethylcoumarin-3-acetic acid for activity. The most potent inhibitors were produced by replacements at C7, including 3-iodo- (4az(I)) and 3-trifluoromethyl- (4be(II)), with IC50 of 40 nM and 25 nM, resp. Pharmacokinetics in mice showed predicted therapeutic concentrations of I for >72 h following a single 10 mg/kg oral dose. I at 10 mg/kg fully normalized stool water content in a loperamide-induced mouse model of constipation. The favorable inhibition potency, selectivity within the SLC26 family and pharmacol. properties of I support its further preclin. development.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, European Journal of Medicinal Chemistry called Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors, Author is Martinez-Gonzalez, Sonia; Garcia, Ana Belen; Albarran, M. Isabel; Cebria, Antonio; Amezquita-Alves, Adrian; Garcia-Campos, Francisco Javier; Martinez-Gago, Jaime; Martinez-Torrecuadrada, Jorge; Munoz, Ines; Blanco-Aparicio, Carmen; Pastor, Joaquin, which mentions a compound: 49609-84-9, SMILESS is O=C(Cl)C1=CC=CN=C1Cl, Molecular C6H3Cl2NO, Application of 49609-84-9.

CDK8 is a cyclin-dependent kinase that forms part of the mediator complex, and modulates the transcriptional output from distinct transcription factors involved in oncogenic control. Overexpression of CDK8 has been observed in various cancers, representing a potential target for developing novel CDK8 inhibitors in cancer therapeutics. In the course of our investigations to discover new CDK8 inhibitors, we designed and synthesized tricyclic pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives, by introduction of chem. complexity in the multi-kinase inhibitor Sorafenib taking into account the flexibility of the P-loop motif of CDK8 protein observed after anal. of structural information of co-crystallized CDK8 inhibitors. In vitro evaluation of the inhibitory activity of the prepared compounds against CDK8 led us to identify compound I as the most potent inhibitor of the series (IC50 = 8.25 nM). Co-crystal studies and the remarkable selectivity profile of compound I are presented. Compound I showed moderate reduction of phosphorylation of CDK8 substrate STAT1 in cells, in line with other reported Type II CDK8 inhibitors. We propose herein an alternative to find a potential therapeutic use for this chem. series.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Synthetic Route of C7H6BrI. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: 1-(Bromomethyl)-2-iodobenzene, is researched, Molecular C7H6BrI, CAS is 40400-13-3, about Intramolecular Homolytic Substitution Enabled by Photoredox Catalysis: Sulfur, Phosphorus, and Silicon Heterocycle Synthesis from Aryl Halides. Author is Garrido-Castro, Alberto F.; Salaverri, Noelia; Maestro, M. Carmen; Aleman, Jose.

Aryl radical generation and manipulation constitutes a long-standing challenge in organic synthesis. Photocatalytic single-electron reduction of aryl halides was established as a premier activation pathway to reach these intermediates. The current study integrates the conceptual simplicity of the classical intramol. homolytic substitution with the practicality of the modern photocatalytic approach. Predicated on an efficient metal-free dehalogenation of aryl halides under mild organo-photoredox conditions, sulfur, phosphorus, and silicon heteroatoms capture the C(sp2)-centered radical in an intramol. fashion.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate