Tag: 100-200

《Hydrogen-bond-driven thiouracil dissolution in aqueous ionic liquid: A combined microscopic, spectroscopic and molecular dynamics study》 was written by Sahoo, Dipak Kumar; Chand, Apramita; Jena, Subhrakant; Biswal, Himansu S.. Application In Synthesis of Picolinic acidThis research focused onthiouracil choline picolinate hydrogen bond solubility. The article conveys some information:

Ionic liquids (ILs) over the years, have been maneuvered in aiding the dissolution of poorly soluble drugs, boosting their permeation and delivery to the target areas through the physiol. barrier. Herein, the solubility of a simple anti-carcinogenic and anti-thyroid drug 2-thiouracil (TU), with poor solubility in water as well as common organic solvents was explored by employing a biocompatible IL – Choline picolinate ([Ch][Pic]). With field-emission scanning-electron-microscope, NMR and mol.-dynamics (MD) simulation studies, we unleashed the solubility mechanism and dynamics of TU in water and in aqueous IL solution The solubility of TU in the IL was enhanced by 100 times than that of water. Electron microscopy showed time-dependent nano- and microscale self-organization morphol. during the solvation process. NMR and MD simulation revealed a tug of war between TU and water to interact with IL, and hydrogen bonding is the prominent interaction for the enhanced solubility The present results are encouraging and can be extended to other thio-derivatives of nucleobases that are useful for biochem. and pharmaceutical applications. The experimental part of the paper was very detailed, including the reaction process of Picolinic acid(cas: 98-98-6Application In Synthesis of Picolinic acid)

Picolinic acid(cas: 98-98-6) is used as a chelate for alkaline earth metals. Used to prepare picolinato ligated transition metal complexes. In synthetic organic chemistry, has been used as a substrate in the Mitsunobu reaction and in the Hammick reaction.Application In Synthesis of Picolinic acid

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

SDS of cas: 98-98-6In 2021 ,《Speciation studies of binary and ternary complexes formed with oxidovanadium(IV) ion picolinic acid and some amino acids》 was published in Physics and Chemistry of Liquids. The article was written by De Abreu, Joel; Del Carpio, Edgar; Madden, Waleska; Lubes, Giuseppe; Araujo, Mary Lorena; Lubes, Vito; Hernandez, Lino. The article contains the following contents:

In the present work the chem. speciation of ternary complexes systems formed by VO2+ ion with picolinic acid and the amino acids = a-alanine (HaAla), glycine (HGly), serine (HSer), threonine (HThr), aspartic acid (H2Asp), glutamic acid (H2Glu), histidine (H2His) and cysteine (H2Cys) has been studied. The anal. involved the use of the potentiometric data with the least-squares program LETAGROP in aqueous solution at 25 oC in 1 M NaCl solution The Hydrolysis products (hydroxylated complexes) of the VO2+ ion and the binary complexes formed in VO2+-amino acids and VO2+-picolinic acid systems in aqueous solution at 25 oC in 1 M NaCl solution were determined and analyzed in this work. In the experiment, the researchers used Picolinic acid(cas: 98-98-6SDS of cas: 98-98-6)

Picolinic acid(cas: 98-98-6) is used as a chelate for alkaline earth metals. Used to prepare picolinato ligated transition metal complexes. In synthetic organic chemistry, has been used as a substrate in the Mitsunobu reaction and in the Hammick reaction.SDS of cas: 98-98-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Computed Properties of C12H13N3In 2021 ,《Optimization of signal amplification by reversible exchange for polarization of tridentate chelating bis[(2-pyridyl)alkyl]amine》 was published in Analyst (Cambridge, United Kingdom). The article was written by Min, Sein; Chae, Heelim; Jeong, Hye Jin; Kim, Kiwoong; Namgoong, Sung Keon; Jeong, Keunhong. The article contains the following contents:

Signal amplification by reversible exchange (SABRE) is an effective NMR hyperpolarization technique for signal enhancement using para-hydrogen on iridium catalysts. To date, monodentate chelating nitrogen analogs have been predominantly used as substrates for SABRE because of the limited chelating sites of the Ir-catalyst with different mol. orientations. Herein, for the first time, the use of a tridentate chelating ligand (BPEA) containing pyridine moieties and a secondary amine as a SABRE substrate is demonstrated. For the optimization of the tridentate chelating ligand, alkyl chain lengths were varied with the optimization of the external magnetic field and concentrations of three different ligands. Because many chem. multidentate complexes present in nature have scarcely been studied as SABRE substrates, this optimized tridentate chelating ligand structure with the SABRE catalyst and its polarization transfer from para-hydrogen will broaden the scope of hyperpolarizable substrates and help in the investigation of chelating structures for future applications. The experimental process involved the reaction of Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0Computed Properties of C12H13N3)

Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. The compound is a tridentate ligand in coordination chemistry and commonly used to produce Zn-based chemosensors/probes, such as Zinpry.Computed Properties of C12H13N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Synthetic Route of C12H13N3In 2019 ,《Molecular design for novel sensing materials with self-screening interference effect (SSIE): Reversible recognizing Cu2+ in aqueous and biologic samples》 appeared in Sensors and Actuators, B: Chemical. The author of the article were Zhao, Gang; Song, Fangfang; Wei, Gang; Wu, Rongliang; Yan, Zhengquan; Zhang, Fayin; Guang, Shanyi; Xu, Hongyao. The article conveys some information:

In the work, self-screening interference effect (SSIE) was proposed for sensing trace Cu2+ by simply thermodn. control reactions, using dipyridine as self-screening interference group, rhodamine as mother chromophore and cyanuric chloride as connecting bridge. After its UV-vis and fluorescent spectral properties were optimized in detail, it was noted to find that the present sensing material (RACD) could selectively and reversibly react Cu2+ with obvious colorimetric or fluorescent spectral and color changes from colorless to pink or orange-red. Some other concomitant ions, even trivalent Fe3+ or Al3+, had no interferences on it. Under the optimized conditions, RACD could multiple-mode sense trace Cu2+ in aqueous with a detection limit as low as 11.0 nmol/L. Especially with low toxicity, RACD was successfully applied for quant. monitoring Cu2+ and evaluating its toxicity in living cells and bio-tissues. RACD-functionalized paper-strips were also prepared to visibly recognize Cu2+ more conveniently. The selective action mechanism for RACD to Cu2+ was to form some stable 5-membered and 5-membered condensed rings between Cu2+ and O or N atoms. The experimental process involved the reaction of Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0Synthetic Route of C12H13N3)

Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. The compound is a tridentate ligand in coordination chemistry and commonly used to produce Zn-based chemosensors/probes, such as Zinpry.Synthetic Route of C12H13N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Recommanded Product: 2-Bromo-5-methylpyridineIn 2019 ,《Transition-Metal-Free Synthesis of Fused Quinazolinones by Oxidative Cyclization of N-Pyridylindoles》 appeared in Journal of Organic Chemistry. The author of the article were Garia, Alankrita; Jain, Nidhi. The article conveys some information:

An unprecedented synthesis of fused quinazolinones from N-pyridylindoles under oxidative conditions using a combination of (diacetoxyiodo)benzene and K2S2O8 is reported. The reaction is metal-free, has a broad substrate scope, is operationally simple with short reaction time, and provides 11H-pyrido[2,1-b]quinazolin-11-one derivatives in moderate to high yields. It is believed to proceed via an in situ generated 2-hydroxy-1-(pyridin-2-yl)indolin-3-one as the key reaction intermediate, which undergoes a C-C bond cleavage to produce an electrophilic C-3 site in N-pyridyl indole. Subsequent nucleophilic attack by pyridyl nitrogen results in its cyclization. The results came from multiple reactions, including the reaction of 2-Bromo-5-methylpyridine(cas: 3510-66-5Recommanded Product: 2-Bromo-5-methylpyridine)

2-Bromo-5-methylpyridine(cas: 3510-66-5) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Recommanded Product: 2-Bromo-5-methylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Application of 1122-54-9In 2021 ,《Three-Component Reaction of 3,3-Difluorocyclopropenes, s-Tetrazines, and (benzo) Pyridines》 appeared in Journal of Organic Chemistry. The author of the article were Nechaev, Ilya V.; Cherkaev, Georgij V.; Boev, Nikolay V.; Solyev, Pavel N.. The article conveys some information:

A new three-component reaction leading to 1-α-(pyridyl-2-[1,2,4]triazolyl)-2-alkyl-ethanones has been discovered while studying the reactivity of monosubstituted 3,3-difluorocyclopropenes in an inverse electronic demand Diels-Alder (IEDDA) cycloaddition-cycloreversion sequence with s-tetrazines. The reaction involving the above-mentioned reactants and (benzo)pyridine as a third component results in a complex transformation proceeding in mild conditions in a stoichiometric ratio of reactants and has high functional group tolerance (phenols, amides, ethers, carboxylic acids, ketones, and acrylic esters). As a result, simple pyridines are selectively functionalized at the α-position in good isolated yields. The reaction mechanism includes a rare azaphilic [4 + 2]-cycloaddition step between s-tetrazine and intermediate 1-hydroxyindolizine, suggested after byproduct identification and tracked with a deuterium label. To date, it is only the third known example of skewed azaphilic cycloaddition of tetrazine. The reaction is truly three-component and cannot be effectively performed stepwise. The experimental part of the paper was very detailed, including the reaction process of 4-Acetylpyridine(cas: 1122-54-9Application of 1122-54-9)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Application of 1122-54-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Recommanded Product: 128071-75-0In 2018 ,《Nickel-Catalyzed Tandem Knoevenagel Condensation and Intramolecular Direct Arylation: Synthesis of Pyrazolo[5,1-a]-isoquinoline Derivatives》 appeared in Advanced Synthesis & Catalysis. The author of the article were Dhiman, Shiv; Nandwana, Nitesh Kumar; Saini, Hitesh Kumar; Kumar, Dalip; Rangan, Krishnan; Robertson, Katherine N.; Jha, Mukund; Kumar, Anil. The article conveys some information:

A simple and efficient method for the synthesis of pyrazolo[5,1-a]isoquinoline derivatives has been developed using the nickel-catalyzed reaction of 1-aryl-2-(1H-pyrazol-1-yl)ethan-1-ones and 2-bromo aldehydes [e.g., I + 2-bromobenzaldehyde → II (68%) in presence of Ni(acac)2, PCy3 and K2CO3 in DMSO]. The overall transformation involves tandem Knoevenagel condensation and intramol. direct arylation via activation of the C5-H bond of the pyrazole ring. A series of 27 drug-like aroyl-substituted pyrazolo[5,1-a]isoquinolines has been synthesized in moderate to good yields. In the experimental materials used by the author, we found 2-Bromonicotinaldehyde(cas: 128071-75-0Recommanded Product: 128071-75-0)

2-Bromonicotinaldehyde(cas: 128071-75-0) belongs to pyridine. The basicity and metallophilic high donor number of these π-deficient systems has long favored them as ligands in metal catalysis. The last decade saw pyridine assume a stronger role as functional group for directed C–H oxidation/activation.Recommanded Product: 128071-75-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Computed Properties of C7H7NOIn 2022 ,《Unique Pseudo-Cross-Conjugated Mesomeric Betaines via an Iodate-Promoted Reaction of 3,3-Difluorocyclopropenes, Pyridines, and Anilines》 appeared in Journal of Organic Chemistry. The author of the article were Nechaev, Ilya V.; Cherkaev, Georgij V.; Sheremetev, Aleksei B.. The article conveys some information:

A simple method for the synthesis of (E)-3-arylimino-3H-indolizin-4-ium-1-olates by an iodate-promoted multicomponent reaction between 3,3-difluorocyclopropenes, pyridines, and anilines was discovered. The reaction products belong to a limited and underexplored class of pseudo-cross-conjugated heterocyclic mesomeric betaines isoconjugated with odd nonalternant hydrocarbon anions, whose properties were studied. Reversible nucleophilic addition at the C5 position was revealed as their main chem. feature, which had an access to novel fully conjugated 1,5-dioxo-3-arylamino-1,5-dihydroindolizine and tetracyclic 4-oxo-4,6-dihydrocyclopenta[4,5]pyrimido[2,1,6-cd]indolizine ring systems in one step. Both the synthesis of betaines and their transformations demonstrate a high level of functional group compatibility, allowing the ready preparation of a number of structurally attractive compounds for materials or medicinal chem. The results came from multiple reactions, including the reaction of 4-Acetylpyridine(cas: 1122-54-9Computed Properties of C7H7NO)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. The basicity and metallophilic high donor number of these π-deficient systems has long favored them as ligands in metal catalysis. The last decade saw pyridine assume a stronger role as functional group for directed C–H oxidation/activation.Computed Properties of C7H7NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

HPLC of Formula: 1134-35-6In 2020 ,《Synthesis of the first mixed ligand Mn (II) and Cd (II) complexes of 4-methoxy-pyridine-2-carboxylic acid, molecular docking studies and investigation of their anti-tumor effects in vitro》 appeared in Applied Organometallic Chemistry. The author of the article were Tamer, Oemer; Mahmoody, Hayatullah; Feyzioglu, Kagan Fehmi; Kilinc, Olca; Avci, Davut; Orun, Oya; Dege, Necmi; Atalay, Yusuf. The article conveys some information:

The first mixed ligand Mn(II) and Cd(II) complexes containing 4-methoxy-pyridine-2-carboxylic acid (4-mpic) and 4,4′-dimethyl-2,2′-bipyridine (dmbpy) were synthesized. The geometric structures of [Mn(4-mpic)2(dmbpy)] (complex 1) and [Cd(4-mpic)2(dmbpy)] (complex 2) were determined by single crystal x-ray diffraction method. FTIR and UV-visible spectra were also recorded to study vibrational and electronic properties of complexes 1 and 2. D. functional theory (DFT) calculations were also carried out to provide a deep understanding in geometric, spectroscopic, electronic and nonlinear optical (NLO) properties of complexes 1 and 2. The first-order hyperpolarizability (β) parameter calculated as 332.9736 × 10-30 esu demonstrated that complex 1 is an extremely promising candidate to NLO materials. Natural bond orbital (NBO) anal. not only verified the distorted octahedral geometries of central metal ions, but also found out the high-energy interactions responsible for biol. activities for complexes 1 and 2. Anti-cancer activities of complexes 1 and 2 were tested on human breast carcinoma cell line MCF-7 (ER and PR pos., HER2 neg.) and the triple neg. breast carcinoma cell line MDA-MB 231 (ER, PR and HER2 neg.). Dose-response relation derived from MTT assays indicates that complexes 1 and 2 are showing concentration-dependent effects, which could suggest a potential use for these drug combinations in cancer cell lines. In the experimental materials used by the author, we found 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6HPLC of Formula: 1134-35-6)

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

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

HPLC of Formula: 1539-42-0In 2020 ,《Tridentate bis(2-pyridylmethyl)amine iron catalyst for electrocatalytic proton reduction》 appeared in Inorganica Chimica Acta. The author of the article were Schiffman, Zachary R.; Margonis, Caroline M.; Moyer, Allison; Ott, Michelle; McNamara, William R.. The article conveys some information:

For widespread applicability, successful complexes for catalytic hydrogen generation should be inexpensive and easy to synthesize. To this end, a series of tetradentate Fe(III) polypyridyl monophenolate complexes was recently reported that are stable and active electrocatalysts for reducing protons into hydrogen gas. While these complexes were active for hydrogen generation, the ligands were synthesized in moderate to good yield after multiple synthetic steps. Herein the authors report a tridentate iron dipyridyl amine analog for hydrogen generation that was synthesized in a single synthetic step from com. available materials. The resulting complex is an active electrocatalyst operating at -0.95 V vs. SHE (-1.57 V vs. Fc+/Fc) with a TOF = 16 s-1. The complex is also a precatalyst for photocatalytic hydrogen evolution when paired with fluorescein (chromophore) and triethylamine (sacrificial electron source) in a 1:1 ethanol:water mixture After reading the article, we found that the author used Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0HPLC of Formula: 1539-42-0)

Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. The compound is a tridentate ligand in coordination chemistry and commonly used to produce Zn-based chemosensors/probes, such as Zinpry.HPLC of Formula: 1539-42-0

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem