Day: October 24, 2022

The author of 《Xantphos as a Branch-Selective Ligand for the Acyclic sec-Alkyl Negishi Cross-Coupling of Heteroaryl Halides》 were Cherney, Alan H.; Hedley, Simon J.; Mennen, Steven M.; Tedrow, Jason S.. And the article was published in Organometallics in 2019. Computed Properties of C5H5BrN2 The author mentioned the following in the article:

We present the application of the common bidentate phosphine ligand Xantphos toward the highly selective Negishi cross-coupling of heteroaryl halides and acyclic sec-alkyl organozinc reagents to prepare pharmaceutically relevant motifs. Branched-to-linear ratios of >100:1 can be achieved for several substrates relevant to the pharmaceutical industry, and tolerance of certain acidic protons is exhibited. A high-throughput experimentation approach was taken to rapidly compare Xantphos Pd G3 to other selective Negishi coupling catalysts, leading to sep. reactivity profiles for each methodol. The utility of Xantphos Pd G3 was demonstrated through the scale-up and isolation of a complex pyridine building block. In the experimental materials used by the author, we found 6-Bromopyridin-3-amine(cas: 13534-97-9Computed Properties of C5H5BrN2)

6-Bromopyridin-3-amine(cas: 13534-97-9) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Computed Properties of C5H5BrN2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Cationic Iridium Complexes with 3,4,5-Triphenyl-4H-1,2,4-Triazole Type Cyclometalating Ligands: Synthesis, Characterizations, and Their Use in Light-Emitting Electrochemical Cells》 was published in Inorganic Chemistry in 2020. These research results belong to Meng, Xianwen; Chen, Mengzhen; Bai, Rubing; He, Lei. Quality Control of 4,4′-Dimethyl-2,2′-bipyridine The article mentions the following:

Cationic Ir complexes that show blue-shifted emission and high phosphorescent efficiency were pursued for their optoelectronic applications. Five cationic Ir complexes with 3,4,5-triphenyl-4H-1,2,4-triazole (tPhTAZ) type cyclometalating ligands (C^N) and 2,2′-bipyridine or 2-(pyridin-2-yl)-1H-benzo[d]imidazole type ancillary ligands (N^N) were designed and synthesized. Their structures were confirmed by x-ray crystallog., and their photophys. and electrochem. properties were comprehensively characterized. In solution and thin films, the complexes afford efficient yellow to blue-green emission. The highest occupied MOs (HOMOs) of these complexes are delocalized over the C^N ligand and the Ir ion, and compared with the conventional 2-phenylpyridine (Hppy) ligand, the tPhTAZ ligand largely shifts the emission of the complex toward blue by over 40 nm through stabilizing the HOMO. Also, the peripheral Ph rings in tPhTAZ provide steric hindrance to the complexes, which suppresses phosphorescence concentration-quenching of the complexes, leading to high luminescent efficiencies in neat films. Theor. calculations showed that the emission of the complexes originates from either the charge-transfer state (Ir/C^N → N^N) or the C^N/N^N-centered 3π-π* state, depending on the local surrounding of the complex. The complexes exhibit good electrochem. stability with reversible oxidation and reduction processes in solution Solid-state light emitting electrochem. cells (LECs) using the complexes afford yellow to blue-green emission, with peak current efficiencies of up to 34.7 cd A-1 and maximum brightness of up to 256 cd m-2 at 3.0 V, which are among the highest for LECs based on cationic Ir complexes reported so far, indicating the great potential for the use of tPhTAZ-type C^N ligands in construction of cationic Ir complexes for LEC applications. tPhTAZ-type cyclometalating ligands (tPhTAZ is 3,4,5-triphenyl-4H-1,2,4-triazole) blue-shift the emission and suppress phosphorescence-concentration quenching for cationic Ir complexes, leading to highly efficient blue-green to yellow light-emitting electrochem. cells (LECs) with efficiencies of up to 34.7 cd A-1. In the experiment, the researchers used many compounds, for example, 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6Quality Control of 4,4′-Dimethyl-2,2′-bipyridine)

4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6) is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.Quality Control of 4,4′-Dimethyl-2,2′-bipyridine Furthermore, 4,4′-Dimethyl-2,2′-bipyridine is used in the synthesis of a series of o-phenanthroline-substituted ruthenium(II) complexes.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks》 was published in ACS Catalysis in 2020. These research results belong to Wittmann, Bruce J.; Knight, Anders M.; Hofstra, Julie L.; Reisman, Sarah E.; Jennifer Kan, S. B.; Arnold, Frances H.. Electric Literature of C5H3BrClN The article mentions the following:

While biocatalysis is increasingly incorporated into drug development pipelines, it is less commonly used in the early stages of drug discovery. By engineering a protein to produce a chiral motif with a derivatizable functional handle, biocatalysts can be used to help generate diverse building blocks for drug discovery. Here we show the engineering of two variants of Rhodothermus marinus nitric oxide dioxygenase (RmaNOD) to catalyze the formation of cis- and trans-diastereomers of a pinacolboronate-substituted cyclopropane which can be readily derivatized to generate diverse stereopure cyclopropane building blocks. After reading the article, we found that the author used 5-Bromo-2-chloropyridine(cas: 53939-30-3Electric Literature of C5H3BrClN)

5-Bromo-2-chloropyridine(cas: 53939-30-3) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Electric Literature of C5H3BrClN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Discrimination of Pd0 and Pd2+ in solution and in live cells by novel light-up fluorescent probe with AIE and ESIPT characteristics》 was written by Wang, Qiang; Chen, Qingqing; Li, Chunbin; Lai, Qingfang; Zou, Fenglan; Liang, Feng; Jiang, Guoyu; Wang, Jianguo. Related Products of 1692-25-7 And the article was included in Microchemical Journal in 2020. The article conveys some information:

A novel and simple light-up fluorescent probe (PASPy-al) with a D-π-A structure based on AIE as well as ESIPT processes was designed for highly selective discrimination of Pd2+ and Pd0. PASPy-al displayed a large Stokes shift (95 nm), a high light-up ratio (116 fold) and a low limit of detection (LOD: 96 nM) toward Pd0. Moreover, the practical applications of PASPy-al for detection of Pd0 in environmental, human urine and pharmaceutical samples were realized, indicating the unique advantages of designing anti-ACQ fluorescent probes based on AIE and ESIPT mechanism. Fluorescence imaging of Pd0 in live cells was realized by using PASPy-al. Furthermore, imaging of Pd0 generation in live cells was also realized by in situ reduction of Pd2+ to Pd0 in the presence of reducing agent like CO, indicating the potential ability of this probe for further fluorescent imaging of cellular reducing agent. The easy preparation of probe PASPy-al plus their excellent parameters would make it a simple to handle probe for detection of Pd0 both in practical samples and in live cells. In the experiment, the researchers used many compounds, for example, Pyridin-3-ylboronic acid(cas: 1692-25-7Related Products of 1692-25-7)

Pyridin-3-ylboronic acid(cas: 1692-25-7) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Related Products of 1692-25-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Paymode, Dinesh J.; Chang, Le; Chen, Dan; Wang, Binglin; Kashinath, Komirishetty; Gopalsamuthiram, Vijayagopal; McQuade, D. Tyler; Vasudevan, N.; Ahmad, Saeed; Snead, David R. published their research in Organic Letters in 2021. The article was titled 《Application of Vinamidinium Salt Chemistry for a Palladium Free Synthesis of Anti-Malarial MMV048: A “”Bottom-Up”” Approach》.Product Details of 624-28-2 The article contains the following contents:

MMV390048 is a clin. compound under investigation for antimalarial activity. A new synthetic route was developed which couples two aromatic fragments while forming the central pyridine ring over two steps. This sequence takes advantage of raw materials used in the existing etoricoxib supply chain and eliminates the need for palladium catalysts, which were projected to be major cost-drivers. In the experimental materials used by the author, we found 2,5-Dibromopyridine(cas: 624-28-2Product Details of 624-28-2)

2,5-Dibromopyridine(cas: 624-28-2) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Product Details of 624-28-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pei, Di; Liu, Bo; Zhao, Shuai; Shu, Xin; Nie, Jun; Chang, Yincheng published their research in ACS Applied Bio Materials in 2021. The article was titled 《Controllable Release Mode Based on ATP Hydrolysis-Fueled Supra-Amphiphile Assembly》.Formula: C12H13N3 The article contains the following contents:

The controllable intermittent and stepwise release modes were achieved in a dissipative system of supra-amphiphile. The supra-amphiphile was constructed based on complexation of cationic amphiphile (Zn@DPA-14) and biol. energy currency, ATP. The formation of supra-amphiphile and the competing hydrolysis of ATP by enzyme drove the micelles assembled by Zn@DPA-14 away from the thermodn. equilibrium state, leading to the cargo release from micelles during the process of micelles transformed to vesicles. Following the time-dependent evolution, the intermittent release or stepwise release modes of the loaded cargo realized through adjusting the polarity of the cargo mols. The strategy advancing from “”traditional”” release modes under thermodn. control toward the life-like controllable modes in the far-from-equilibrium state shows unique potential applications on transport vehicles and biomedical field. In addition to this study using Bis(pyridin-2-ylmethyl)amine, there are many other studies that have used Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0Formula: C12H13N3) was used in this study.

Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. As a tridentate ligand this compound provides three nitrogen donors that affords good selectivity for Zn2+ over biologically relevant metals such as Na+, K+, Mg2+ and Ca2+, and leaves coordination sites free for anion binding. Formula: C12H13N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rekowski, Szymon P.; Kroener, Bettina K.; Kathuria, Deepika; Wani, Aabid A.; Chourasiya, Sumit S.; Conrad, Juergen; Bharatam, Prasad V.; Frey, Wolfgang; Beifuss, Uwe published an article in 2021. The article was titled 《A novel copper-catalyzed, hydrazine-free synthesis of N-1 unsubstituted 1H-indazoles using stable guanylhydrazone salts as substrates》, and you may find the article in Tetrahedron.Synthetic Route of C6H4BrNO The information in the text is summarized as follows:

A CuI-catalyzed, hydrazine-free transformation of 2-(2-bromoarylidene)guanylhydrazone hydrochlorides using Cs2CO3 as a base and DMEDA as a ligand at 120° for 5 h delivers substituted 1H-indazoles with yields up to 75%. The C,N double bond configuration of the substrates was determined by NMR experiments and quantum chem. calculations The reaction mechanism was studied using quantum chem. calculations In addition to this study using 2-Bromonicotinaldehyde, there are many other studies that have used 2-Bromonicotinaldehyde(cas: 128071-75-0Synthetic Route of C6H4BrNO) was used in this study.

2-Bromonicotinaldehyde(cas: 128071-75-0) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Synthetic Route of C6H4BrNO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Becker, Mariia; Wyss, Vanessa; Housecroft, Catherine E.; Constable, Edwin C. published an article in 2021. The article was titled 《The influence of alkyl chains on the performance of DSCs employing iron(II) N-heterocyclic carbene sensitizers》, and you may find the article in Dalton Transactions.Related Products of 626-05-1 The information in the text is summarized as follows:

The photovoltaic performances of DSCs employing two new iron(II) N-heterocyclic carbene (NHC) sensitizers are presented. The presence of Bu side chains had a significant impact on DSC performace. The improvement in DSC performance up to 0.93-0.95% was observed for a new heteroleptic sensitizer bearing one carboxylic acid anchoring group. The photovoltaic performance was remarkably affected by sensitization time and by a presence/absence of coadsorbent on the semiconductor surface. The highest photoconversion efficiencies (PCE) were achieved for DSCs sensitized over 17.5 h without addition of coadsorbents. However, for a shorter dipping time of 4 h, the presence of chenodeoxycholic acid improved the PCE from 0.46% (no coadsorbents) to 0.74%, resp. The performance of DSCs based on a new homoleptic complex bearing two Bu side chains and a carboxylic acid anchor on each NHC-ligand was improved from 0.05 to 0.29% via changes in dye-bath concentration and sensitization time. The changes in the dye load on the semiconductor surface depending on the sensitization conditions were confirmed using solid-state UV-Vis spectroscopy and thermogravimetric anal. Electrochem. impedance spectroscopy was used to gain information about the processes occurring at the different interfaces in the DSCs. The impedance response was strongly affected by the immersion time of the photoanodes in the dye-bath solutions In the case of the homoleptic iron(II) complex, a Gerischer impedance was observed after 17.5 h immersion. Shorter dipping times resulted in a decrease in the resistance in the system. For the heteroleptic complex, values of the chem. capacitance and electron lifetime were affected by the immersion time. However, the diffusion length was independent of sensitization conditions. In the experiment, the researchers used many compounds, for example, 2,6-Dibromopyridine(cas: 626-05-1Related Products of 626-05-1)

2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Related Products of 626-05-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

McPherson, Kerry Silva; Zaino, Angela M.; Dash, Radha C.; Rizzo, Alessandro A.; Li, Yunfeng; Hao, Bing; Bezsonova, Irina; Hadden, M. Kyle; Korzhnev, Dmitry M. published an article in 2021. The article was titled 《Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis》, and you may find the article in ChemMedChem.COA of Formula: C5H7N3 The information in the text is summarized as follows:

Rev1 is a protein scaffold of the translesion synthesis (TLS) pathway, which employs low-fidelity DNA polymerases for replication of damaged DNA. The TLS pathway helps cancers tolerate DNA damage induced by genotoxic chemotherapy, and increases mutagenesis in tumors, thus accelerating the onset of chemoresistance. TLS inhibitors have emerged as potential adjuvant drugs to enhance the efficacy of first-line chemotherapy, with the majority of reported inhibitors targeting protein-protein interactions (PPIs) of the Rev1 C-terminal domain (Rev1-CT). We previously identified phenazopyridine (PAP) as a scaffold to disrupt Rev1-CT PPIs with Rev1-interacting regions (RIRs) of TLS polymerases. To explore the structure-activity relationships for this scaffold, we developed a protocol for co-crystallization of compounds that target the RIR binding site on Rev1-CT with a triple Rev1-CT/Rev7R124A/Rev3-RBM1 complex, and solved an X-ray crystal structure of Rev1-CT bound to the most potent PAP analog. The structure revealed an unexpected binding pose of the compound and informed changes to the scaffold to improve its affinity for Rev1-CT. We synthesized eight addnl. PAP derivatives, with modifications to the scaffold driven by the structure, and evaluated their binding to Rev1-CT by microscale thermophoresis (MST). Several second-generation PAP derivatives showed an affinity for Rev1-CT that was improved by over an order of magnitude, thereby validating the structure-based assumptions that went into the compound design. The experimental process involved the reaction of 2,6-Diaminopyridine(cas: 141-86-6COA of Formula: C5H7N3)

2,6-Diaminopyridine(cas: 141-86-6) belongs to pyridine. Pyridine and its simple derivatives are stable and relatively unreactive liquids, with strong penetrating odours that are unpleasant.COA of Formula: C5H7N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Lau, Samantha; Provis-Evans, Cei B.; James, Alexander P.; Webster, Ruth L. published an article in 2021. The article was titled 《Hydroboration of aldehydes, ketones and CO2 under mild conditions mediated by iron(III) salen complexes》, and you may find the article in Dalton Transactions.Reference of 4-Acetylpyridine The information in the text is summarized as follows:

The hydroboration of aldehydes, ketones and CO2 is demonstrated using a cheap and air stable [Fe(salen)]2-μ-oxo pre-catalyst with pinacolborane (HBpin) as the reductant under mild conditions. This catalyst system chemoselectively hydroborates aldehydes over ketones and ketones over alkenes. The [Fe(salen)2]-μ-oxo pre-catalyst shows good efficacy at reducing wet CO2 with HBpin at room temperature4-Acetylpyridine(cas: 1122-54-9Reference of 4-Acetylpyridine) was used in this study.

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridine derivatives lend themselves to many roles in the spirited field of supramolecular chemistry – whether as the ligand backbone of metal-organic polymers or presiding over the key electronic stations of nanodevices. In biochemistry, pyridine-containing cofactors are necessary nutrients on which our lives depend. Reference of 4-Acetylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem