Day: October 13, 2022

《The conformational analyses of 2-amino-N-[2-(dimethylphenoxy)ethyl]propan-1-ol derivatives in different environments》 was published in Acta Crystallographica, Section C: Structural Chemistry in 2020. These research results belong to Nitek, Wojciech; Kania, Agnieszka; Marona, Henryk; Waszkielewicz, Anna M.; Zeslawska, Ewa. Application of 98-98-6 The article mentions the following:

Four crystal structures of 2-amino-N-(dimethylphenoxyethyl)propan-1-ol derivatives, characterized by X-ray diffraction anal., are reported. The free base (R,S)-2-amino-N-[2-(2,3-dimethylphenoxy)ethyl]propan-1-ol, C13H21NO2, 1, crystallizes in the space group P21/n, with two independent mols. in the asym. unit. The hydrochloride, (S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium chloride, C13H21NO2+Cl-, 2c, crystallizes in the space group P21, with one cation and one chloride anion in the asym. unit. The asym. unit of two salts of 2-picolinic acid, namely, (R,S)-N-[2-(2,3-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate, C13H22NO2+·C6H4NO2-, 1p, and (R)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium pyridine-2-carboxylate, C13H22NO2+·C6H4NO2-, 2p, consists of one cation and one 2-picolinate anion. Salt 1p crystallizes in the triclinic centrosym. space group P [inline formula omitted] , while salt 2p crystallizes in the space group P41212. The conformations of the amine fragments are contrasted and that of 2p is found to have an unusual antiperiplanar arrangement about the ether group. The crystal packing of 1 and 2c is dominated by hydrogen-bonded chains, while the structures of the 2-picolinate salts have hydrogen-bonded rings as the major features. In both salts with 2-picolinic acid, the specific R12(5) hydrogen-bonding motif is observed Structural studies have been enriched by the generation of fingerprint plots derived from Hirshfeld surfaces. In the experiment, the researchers used Picolinic acid(cas: 98-98-6Application of 98-98-6)

Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Application of 98-98-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones》 was written by Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei. Name: fac-Tris(2-phenylpyridine)iridium And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

Reported herein is a visible-light-catalyzed photoredox atom-transfer radical cyclization (ATRC) halo-alkylation of 1,6-dienes with α-halo-ketones as the ATRC reagent. This process exhibits high atom economy, high step economy, and high redox economy, which can directly construct a 4-bromo-3,3-dialkyl-octahydro-indol-2-one I (R1 = C6H5, 4-FC6H4, Ts, etc.; n = 0,1) core under mild conditions in one pot, and lutidine is found to be the key promoter for this ATRC process. In the part of experimental materials, we found many familiar compounds, such as fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Name: fac-Tris(2-phenylpyridine)iridium)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) 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. Name: fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Cao, Bing-Jun; Li, Ran; Huang, Xi-He published their research in Acta Crystallographica, Section C: Structural Chemistry in 2021. The article was titled 《Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands》.Product Details of 1122-54-9 The article contains the following contents:

Two copper(I) iodide tetramers, namely, [μ2-1,3-bis(diphenylphosphanyl)propane-κ2P:P′]di-μ3-iodido-di-μ2-iodido-[1-(pyridin-3-yl)ethan-1-one-κN]tetracopper(I) dichloromethane disolvate, [Cu4I4(C6H7NO)2(C27H26P2)2]·2CH2Cl2 (CuL3), and [μ2-1,3-bis(diphenylphosphanyl)propane-κ2P:P′]di-μ3-iodido-di-μ2-iodido-[1-(pyridin-4-yl)ethan-1-one-κN]tetracopper(I), [Cu4I4(C6H7NO)2(C27H26P2)2] (CuL4), have been synthesized from reactions of CuI, 1,3-bis(diphenylphosphanyl)propane (dppp) and 3- or 4-acetylpyridine (3/4-acepy). The complexes were characterized by elemental anal., IR spectroscopy, single-crystal X-ray diffraction (XRD), powder XRD and photoluminescence spectroscopy. Both complexes possess a stair-step [Cu4I4] cluster structure with a crystallog. inversion center located in the middle of a Cu2I2 ring (Z′ = 1/2). The dppp ligands each adopt a bidentate coordination mode that bridges two CuI centers on one side of the [Cu4I4] cluster and the acepy ligands act as terminal ligands. The solid-state samples of similar complexes show highly efficiency thermally activated delayed fluorescence (TADF) at room temperature At ambient temperature, both CuL3 and CuL4 exhibit photoluminescence, with a maximum emission in the region 560-580 nm and with short emissive decay times, but only phosphorescence was observed at 77 K. The narrow gaps between the higher lying singlet state and the triplet state, ΔE(S1 – T1), also confirm the presence of TADF. Structure anal. and consideration of photoluminescence indicates that the position of the acetyl group on the heterocyclic ligand has an obvious influence on the structural arrangement, on intermol. interactions and on the observed photophys. properties. In the experimental materials used by the author, we found 4-Acetylpyridine(cas: 1122-54-9Product Details of 1122-54-9)

4-Acetylpyridine(cas: 1122-54-9) 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 1122-54-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Yuanyuan; Xie, Chuan; Liu, Yang; Shang, Feng; Shao, Rushiya; Yu, Jing; Wu, Chunxia; Yao, Xinghui; Liu, Dongfang; Wang, Zhouyu published an article in 2021. The article was titled 《Synthesis, biological activities and docking studies of pleuromutilin derivatives with piperazinyl urea linkage》, and you may find the article in Journal of Enzyme Inhibition and Medicinal Chemistry.Product Details of 13534-97-9 The information in the text is summarized as follows:

Antibiotics resistance is becoming increasingly common, involving almost all antibiotics on the market. Diseases caused by drug resistant bacteria, such as MRSA, have high mortality and neg. affect public health. The development of new drugs would be an effective means of solving this problem. Modifications based on bioactive natural products could greatly shorten drug development time and improve success rate. Pleuromutilin, a natural product from the basidiomycete bacterial species, is a promising antibiotic candidate. In this study, a series of novel pleuromutilin derivatives possessing piperazinyl urea linkage were efficiently synthesized, and their antibacterial activities and bactericidal properties were evaluated via MIC, MBC and Time-kill kinetics assays. The results showed that all compounds exhibited potent activities against tested strains, especially MRSA strains with MIC values as low as 0.125μg/mL; 8 times lower than that of marketed antibiotic Tiamulin. Docking studies indicate substituted piperazinyl urea derivatives could provide hydrogen bonds and initiate π-π stacking between mols. and surrounding residues. The experimental part of the paper was very detailed, including the reaction process of 6-Bromopyridin-3-amine(cas: 13534-97-9Product Details of 13534-97-9)

6-Bromopyridin-3-amine(cas: 13534-97-9) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Product Details of 13534-97-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Structural characterization of a hybrid terpyridine-pyrazine ligand and its one-dimensional ZnII coordination polymer: a computational approach to conventional and nonconventional intermolecular interactions》 was written by Granifo, Juan; Gavino, Ruben; Suarez, Sebastian; Baggio, Ricardo. Product Details of 1122-54-9This research focused onzinc terpyridine pyrazine coordination polymer crystal structure intermol interaction; Hirshfeld surface; computational chemistry; crystal structure; energy framework; enrichment ratio; interaction strength hierarchy; one-dimensional coordination polymer; terpyridine-pyrazine. The article conveys some information:

The structures of a new hybrid terpyridine-pyrazine ligand, namely 4′-[4-(pyrazin-2-yl)phenyl]-4,2′:6′,4′′-terpyridine (L2), C25H17N5, and its one-dimensional coordination polymer catena-poly[[bis(acetylacetonato-κ2O,O′)zinc]-μ-4′-[4-(pyrazin-2-yl-κN4)phenyl]-4,2′:6′,4′′-terpyridine-κN1], [Zn(C5H7O2)2(C25H17N5)]n or [Zn(acac)2(L2)]n (Hacac is acetylacetone), are reported. Packing interactions in both crystal structures are analyzed using Hirshfeld surface and enrichment ratio techniques. For the simpler structure of the monomeric ligand, further studies on the interaction hierarchy using the energy framework approach were made. The result was a complete picture of the intermol. interaction landscape, which revealed some subtle details, for example, that some weak (at first sight negligible) C-H···N interactions in the structure of free L2 play a relevant role in the crystal stabilization. After reading the article, we found that the author used 4-Acetylpyridine(cas: 1122-54-9Product Details of 1122-54-9)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Additionally, pyridine-based natural products continue to be discovered and studied for their properties and to understand their biosynthesis.Product Details of 1122-54-9

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《A boron-centered radical: a potassium-crown ether stabilized boryl radical anion》 were Yuan, Ningning; Wang, Wenqing; Wu, Ziye; Chen, Sheng; Tan, Gengwen; Sui, Yunxia; Wang, Xinping; Jiang, Jun; Power, Philip P.. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2016. Safety of 4-Bromo-3,5-dimethylpyridine hydrochloride The author mentioned the following in the article:

A boron radical contact ion-pair Mes2B{4-(3,5-dimethylpyridinyl)}K(18-crown-6)(THF) (1K) was isolated and characterized by ESR spectroscopy, UV-visible absorption spectroscopy and single crystal x-ray diffraction. The geometry, bonding and spin d. distribution are affected by the N···K interaction. The unpaired electron resides mainly on the boron atom and falls between those of triarylboron radical anions and neutral boron radicals. The work provides a novel boron-centered radical intermediate, connecting anionic and neutral boryl radicals. The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-3,5-dimethylpyridine hydrochloride(cas: 1794738-16-1Safety of 4-Bromo-3,5-dimethylpyridine hydrochloride)

4-Bromo-3,5-dimethylpyridine hydrochloride(cas: 1794738-16-1) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Safety of 4-Bromo-3,5-dimethylpyridine hydrochloride

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

van Veldhoven, Jacobus P. D.; Campostrini, Giulia; van Gessel, Constantijn J. E.; Ward-van Oostwaard, Dorien; Liu, Rongfang; Mummery, Christine L.; Bellin, Milena; IJzerman, Adriaan P. published an article on February 15 ,2021. The article was titled 《Targeting the Kv11.1 (hERG) channel with allosteric modulators. Synthesis and biological evaluation of three novel series of LUF7346 derivatives》, and you may find the article in European Journal of Medicinal Chemistry.Computed Properties of C6H8N2 The information in the text is summarized as follows:

Three novel series of substituted benzophenones for their allosteric modulation of the human Kv11.1 (hERG) channel were synthesized and evaluated. Effects of this is compared with reference compound LUF7346 previously shown to shorten the action potential of cardiomyocytes derived from human stem cells. Most compounds behaved as neg. allosteric modulators (NAMs) of [3H]dofetilide binding to the channel. Compound III [R = 2-Cl; R1 = CH2cPr; X= Y = C] was the most potent amongst all ligands, remarkably reducing the affinity of dofetilide in competitive displacement assays. One of the other II [R = H; X = N] tested in a second radioligand binding set-up, displayed unusual displacement characteristics with a pseudo-Hill coefficient significantly distinct from unity, further indicative of its allosteric effects on the channel. Some compounds were evaluated in a more physiol. relevant context in beating cardiomyocytes derived from human induced pluripotent stem cells. Surprisingly, the compounds tested showed effects quite different from the reference NAM LUF7346. For instance, compound I [R = 3-Me] prolonged, rather than shortened, the field potential duration, while it did not influence this parameter when the field potential was already prolonged by dofetilide. In subsequent patch clamp studies on HEK293 cells expressing the hERG channel the compounds behaved as channel blockers. In conclusion, new allosteric modulators of the hERG channel were successfully synthesized and identified . Unexpectedly, their effects differed from the reference compound in functional assays on hERG-HEK293 cells and human cardiomyocytes, to the extent that the compounds behaved as stand-alone channel blockers.4-Amino-2-picoline(cas: 18437-58-6Computed Properties of C6H8N2) was used in this study.

4-Amino-2-picoline(cas: 18437-58-6) belongs to anime. Amines characteristically form salts with acids; a hydrogen ion, H+, adds to the nitrogen. With the strong mineral acids (e.g., H2SO4, HNO3, and HCl), the reaction is vigorous. Salt formation is instantly reversed by strong bases such as NaOH. Neutral electrophiles (compounds attracted to regions of negative charge) also react with amines; alkyl halides (R′X) and analogous alkylating agents are important examples of electrophilic reagents.Computed Properties of C6H8N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2012,Delcamp, Jared H.; Yella, Aswani; Nazeeruddin, Mohammad K.; Graetzel, Michael published 《Modulating dye E(S+/S*) with efficient heterocyclic nitrogen containing acceptors for DSCs》.Chemical Communications (Cambridge, United Kingdom) published the findings.Category: pyridine-derivatives The information in the text is summarized as follows:

Acceptor motifs based on nitrogen containing heterocycles have been synthesized for use in dye-sensitized solar cells (DSCs). Through the selective addition of nitrogen atoms and increased conjugation of the nitrogen containing heterocycles the excited-state oxidation potential, E(S+/S*), may be conveniently tuned with minimal effect on the ground-state oxidation potential, E(S+/S), of the dye. The experimental process involved the reaction of Methyl 5-bromopicolinate(cas: 29682-15-3Category: pyridine-derivatives)

Methyl 5-bromopicolinate(cas: 29682-15-3) 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. Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2018,Wang, Yanfei; Liu, Nana; Liu, Qingyun; Yang, Liguo; Wei, Aimin published 《Crystal structure of tris(μ2-2-(pyridin-2-yl)ethan-1-olato-κ3N,O:O)-trithiocyanato-κN-dicobalt(III), C24H24Co2N6O3S3》.Zeitschrift fuer Kristallographie – New Crystal Structures published the findings.Quality Control of 2-(2-Hydroxyethyl)pyridine The information in the text is summarized as follows:

C24H24Co2N6O3S3, triclinic, P1[n.773] (number 2), a = 10.5658(9) Å, b = 11.1693(11) Å, c = 11.7054(14) Å, α = 79.200(1)°, β = 84.714(1)°, γ = 89.519(2)°, V = 1351.1(2) Å3, Z = 2, Rgt(F) = 0.0482, wRref(F2) = 0.1213, T = 298 K. In addition to this study using 2-(2-Hydroxyethyl)pyridine, there are many other studies that have used 2-(2-Hydroxyethyl)pyridine(cas: 103-74-2Quality Control of 2-(2-Hydroxyethyl)pyridine) was used in this study.

2-(2-Hydroxyethyl)pyridine(cas: 103-74-2) 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. Quality Control of 2-(2-Hydroxyethyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Austin Journal of Analytical and Pharmaceutical Chemistry included an article by Looga, A. M.; Ambassa, P.; Kamga, J.; Hortense, GK.; Ngadjui, B. T.; Ngameni, B.. COA of Formula: C7H7NO. The article was titled 《Synthesis and evaluation of antimicrobial properties of some novel indole pyridine based chalcones》. The information in the text is summarized as follows:

A series of novel substituted indolylchalcone derivatives (E)-I (R = H, Me, Ar = pyridin-3-yl, pyridin-4-yl) were synthesized via Claisen-Schmidt condensation between indole-3-carbaldehyde and N-methylindole-3-carbaldehyde and 3- and 4-pyridinylacetophenones. All the compounds were screened for their antibacterial and antifungal activity against six different bacterial strains – Escherichia coli ATCC 25922, Klebsiella pneumonia ATCC 700603, Staphylococcus aureus ATCC 25923, Proteus mirabilis, Salmonella typhi, Pseudomonas aeruginosa – and against one fungal strain, Candida albicans. The results reveal that all the compounds exhibited moderate to good antibacterial and antifungal activities. In the part of experimental materials, we found many familiar compounds, such as 4-Acetylpyridine(cas: 1122-54-9COA of Formula: C7H7NO)

4-Acetylpyridine(cas: 1122-54-9) 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. COA of Formula: C7H7NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem