Tag: 200-300

In 2022,Iali, Wissam; Suleiman, Rami K.; El Ali, Bassam published an article in Applied Organometallic Chemistry. The title of the article was 《Highly efficient NHC-iridium(I) catalyzed disulfide bond forming reaction》.Recommanded Product: 1,2-Diphenyldisulfane The author mentioned the following in the article:

The N-heterocyclic carbene (NHC) iridium(I) complex [IrCl (COD)(IMes)] [IMes = 1,3-bis(2,4,6-trimethylphenyl) imidazole-2-ylidene] showed an excellent catalytic activity in the reactions of the aerobic oxidative coupling of thiols into disulfides RSSR1 [R = R1 = nPr, Ph, (CH2)2OH, etc.]. The use of oxygen of air as a green oxidant allowed the thiols to be quant. converted into the corresponding disulfides under mild conditions and in a short reaction time. The replacement of chloride ligand on the iridium by the strong-donating thiolate ligand yielded an electron-rich and sensitive-to-oxygen active species [Ir(S-R)(COD)(IMes)] at room light and subsequently promoted the catalytic oxidative coupling reactions. This active species was successfully isolated and characterized by X-ray diffraction and found also to be essential in revealed a plausible mechanism for this Ir-catalyzed transformation. The D. Functional Theory (DFT)-calculated free energy profile of the proposed mechanism of catalyst system could reasonably account for the key role of air in pursuing the catalytic reaction. The results came from multiple reactions, including the reaction of 1,2-Diphenyldisulfane(cas: 882-33-7Recommanded Product: 1,2-Diphenyldisulfane)

1,2-Diphenyldisulfane(cas: 882-33-7) belongs to ethers. Ethers lack the hydroxyl groups of alcohols. Without the strongly polarized O―H bond, ether molecules cannot engage in hydrogen bonding with each other. Recommanded Product: 1,2-Diphenyldisulfane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2022,Li, Rongrong; Yang, Xinzheng; Ping, Hongming published an article in Catalysis Science & Technology. The title of the article was 《A radical mechanism for C-H bond cross-coupling and N2 activation catalysed by β-diketiminate iron complexes》.Related Products of 33100-27-5 The author mentioned the following in the article:

Our d. functional theory calculations reveal a radical mechanism for N2 fixation and conversion to N(SiMe3)3 and PhN(SiMe3)2 catalyzed by a diketiminate-supported iron system. We found that the Na(15-crown-5) radical plays an essential role as a co-catalyst in the reaction for the formation of the Me3Si radical and a stable intermediate. The attack of two Me3Si· radicals to distal nitrogen and the Ph migration to proximal nitrogen gradually weaken and activate the NN bond. The turnover-limiting step in the whole catalytic reaction is the activation of the C-H bond with a free energy barrier of 20.3 kcal mol-1. MO anal. of dinitrogen complexes indicates that the π back-bonding interactions between iron and N2 orbitals have major contributions to N2 fixation. In the experiment, the researchers used many compounds, for example, 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Related Products of 33100-27-5)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Related Products of 33100-27-5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Sayer, James R.; Wallden, Karin; Koss, Hans; Allan, Helen; Daviter, Tina; Gane, Paul J.; Waksman, Gabriel; Tabor, Alethea B. published an article in 2021. The article was titled 《Design, synthesis, and evaluation of peptide-imidazo[1,2-a]pyrazine bioconjugates as potential bivalent inhibitors of the VirB11 ATPase HP0525》, and you may find the article in Journal of Peptide Science.COA of Formula: C9H19NO4 The information in the text is summarized as follows:

Helicobacter pylori (H. pylori) infections were implicated in the development of gastric ulcers and various cancers: however, the success of current therapies is compromised by rising antibiotic resistance. The virulence and pathogenicity of H. pylori is mediated by the type IV secretion system (T4SS), a multiprotein macromol. nanomachine that transfers toxic bacterial factors and plasmid DNA between bacterial cells, thus contributing to the spread of antibiotic resistance. A key component of the T4SS is the VirB11 ATPase HP0525, which is a hexameric protein assembly. The authors have previously reported the design and synthesis of a series of novel 8-amino imidazo[1,2-a]pyrazine derivatives as inhibitors of HP0525. In order to improve their selectivity, and potentially develop these compounds as tools for probing the assembly of the HP0525 hexamer, the authors have explored the design and synthesis of potential bivalent inhibitors. The authors used the structural details of the subunit-subunit interactions within the HP0525 hexamer to design peptide recognition moieties of the subunit interface. Different methods (cross metathesis, click chem., and cysteine-malemide) for bioconjugation to selected 8-amino imidazo[1,2-a]pyrazines were explored, as well as peptides spanning larger or smaller regions of the interface. The IC50 values of the resulting linker-8-amino imidazo[1,2-a]pyrazine derivatives, and the bivalent inhibitors, were related to docking studies with the HP0525 crystal structure and to mol. dynamics simulations of the peptide recognition moieties. The experimental part of the paper was very detailed, including the reaction process of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6COA of Formula: C9H19NO4)

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.COA of Formula: C9H19NO4Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Tetraphenylbutadiene-Based Symmetric 3D Hole-Transporting Materials for Perovskite Solar Cells: A Trial Trade-off between Charge Mobility and Film Morphology》 was written by Chen, Jian; Xia, Jianxing; Gao, Wei-Jie; Yu, Hui-Juan; Zhong, Jun-Xing; Jia, Chunyang; Qin, Yuan-Shou; She, Zhigang; Kuang, Dai-Bin; Shao, Guang. Recommanded Product: Bis(4-methoxyphenyl)amine And the article was included in ACS Applied Materials & Interfaces in 2020. The article conveys some information:

Two three-dimensional sym. tetraphenylbutadiene derivatives decorated with diphenylamine or triphenylamine fragments are first prepared for use as hole-transporting materials (HTMs) in perovskite solar cells (PSCs). The HTMs are acquired using straightforward synthetic methods and facile purification techniques. The thermal stability, photophys. properties, electrochem. behaviors, computational study, hole mobility, X-ray diffraction, hole transfer dynamics, hydrophobicity, surface morphol., and photovoltaic performances of the HTMs are discussed. The highest power conversion efficiency (PCE) of CJ-04-based cell is 13.75%, which is increased to 20.06% when CJ-03 is used as HTM, superior to the PCE of the cell based on 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenylamine)-9,9′-spirobifluorene (spiro-OMeTAD) (18.90%). The preparation cost of CJ-03 accounts for merely 23.1% of the price of com. spiro-OMeTAD, while the concentration of CJ-03 solution used in the device fabrication (60.0 mg mL-1) is lower compared with that of the spiro-OMeTAD solution (72.3 mg mL-1). These results corroborate that the screw-like HTMs with a highly distorted configuration are facilely available and promising candidates for PSCs. More importantly, a practical solution is proposed to achieve moderate charge mobility and good film-formation ability of the HTMs simultaneously. In the experiment, the researchers used many compounds, for example, Bis(4-methoxyphenyl)amine(cas: 101-70-2Recommanded Product: Bis(4-methoxyphenyl)amine)

Bis(4-methoxyphenyl)amine(cas: 101-70-2) is a diphenylamine derivative used as a chemical additive for cured rubber.Bis(4-methoxyphenyl)amine is highly toxic and may potentially induce chromosome abberation.Recommanded Product: Bis(4-methoxyphenyl)amine

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Dopant-Free Hole-Transport Materials Based on 2,4,6-Triarylpyridine for Inverted Planar Perovskite Solar Cells》 was written by Duan, Liangsheng; Chen, Yu; Jia, Jingwen; Zong, Xueping; Sun, Zhe; Wu, Quanping; Xue, Song. Related Products of 101-70-2 And the article was included in ACS Applied Energy Materials in 2020. The article conveys some information:

New building blocks of cores and periphery groups for organic hole-transporting materials (HTMs) have been paid much attention for recent development in perovskite solar cells (PSCs). In this work, we applied facile synthesis to join a 2,4,6-triarylpyridine building block for new HTMs based on a pyridine core by cheap industrial initial materials. The three small mols., namely, D104, D105, and D106, were used in the pristine state. To the best of our knowledge, pyridine-cored dopant-free HTMs have not been reported in PSCs. The changing periphery 4-methoxyphenyl and bis(4-methoxyphenyl)amine groups formed different Y-shapes. Under 1 sun conditions, the devices achieved an increased power conversion efficiency (PCE) of 16.28%, 17.40%, and 18.24% for D104, D105, and D106. They displayed great potential with improved stability in inverted planar PSCs. The unencapsulated device in ambient environment (30% RH) based on D104, D105, and D106 retained 33%, 70%, and 75% of the initial PCE after 275 h. The results came from multiple reactions, including the reaction of Bis(4-methoxyphenyl)amine(cas: 101-70-2Related Products of 101-70-2)

Bis(4-methoxyphenyl)amine(cas: 101-70-2) is a diphenylamine derivative used as a chemical additive for cured rubber.Bis(4-methoxyphenyl)amine is highly toxic and may potentially induce chromosome abberation.Related Products of 101-70-2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Che, Jinxin; Jin, Zegao; Yan, Fangjie; You, Jieqiong; Xie, Jiangfeng; Chen, Binhui; Cheng, Gang; Zhu, Hong; He, Qiaojun; Hu, Yongzhou; Yang, Bo; Cao, Ji; Dong, Xiaowu published an article in Journal of Medicinal Chemistry. The title of the article was 《Discovery of 5,6-Bis(4-methoxy-3-methylphenyl)pyridin-2-amine as a WSB1 Degrader to Inhibit Cancer Cell Metastasis》.Computed Properties of C14H21BO3 The author mentioned the following in the article:

The gain of cell motility is an essential prerequisite for cancer metastasis. The ubiquitin ligase subunit WD repeat and SOCS box-containing 1 (WSB1) has been demonstrated to regulate hypoxia-driven tumor cell migration. However, there is still a lack of methods for discovering inhibitors targeting the WSB1 axis. Here, we employed phenotypic screening models and identified compound 4 that displayed migration inhibitory activity against WSB1-overexpressing cells. Further studies indicated that it may function as a WSB1 degrader, thus leading to the accumulation of the Rho guanosine diphosphate dissociation inhibitor 2 (RhoGDI2) protein, reversing the expression of downstream F-actin and formation of membrane ruffles, and disturbing the migration capacity of cancer cells. Moreover, compound 4 exhibited a promising in vivo anticancer metastatic effects. Our findings show the discovery of a new WSB1 degrader, providing a unique solution for the treatment of cancer metastasis. In the experiment, the researchers used 2-(4-Methoxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 214360-63-1Computed Properties of C14H21BO3)

2-(4-Methoxy-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(cas: 214360-63-1) belongs to ethers.Computed Properties of C14H21BO3Although ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Magosso, M.; van den Berg, M.; van der Schaaf, J. published an article in 2021. The article was titled 《Kinetic study and modeling of the Schotten-Baumann synthesis of peroxyesters using phase-transfer catalysts in a capillary microreactor》, and you may find the article in Reaction Chemistry & Engineering.Computed Properties of C10H20O5 The information in the text is summarized as follows:

The kinetics of the synthesis of tert-Bu peroxy-2-ethylhexanoate were investigated in a capillary microreactor. TBPEH was synthesized from 2-ethylhexanoyl chloride and tert-Bu hydroperoxide in the presence of a strong base, using the Schotten-Baumann method. The peroxyesterification reaction is always in competition with the unwanted acid chloride hydrolysis. The synthesis was carried out with and without a phase-transfer catalyst. The non-catalyzed reaction showed a low rate, which could be incremented by increasing the temperature and the liquid-liquid interfacial area or by using KOH instead of NaOH as base. The peroxyesterification and hydrolysis rates increased with temperature However, the use of KOH or the increase in interfacial area accelerated only the peroxyester formation, increasing the selectivity towards the desired product. The addition of a PTC enhanced the peroxyesterification rate without changing the hydrolysis rate. Among the screened PTCs, quaternary ammonium salts with longer alkyl chains gave the best performance, up to 25 times faster peroxyesterification. The rate increase was proportional to the PTC amount The interfacial area had the same effect as in the non-catalyzed reaction. Because of the tremendous increase in the reaction speed due to the PTC, the rate increased with slug velocity. At low slug velocity the reactants in the thin liquid film surrounding the droplets in the capillary are depleted and the peroxyesterification rate decreases. A reaction mechanism is proposed that explains the exptl. observation. The corresponding kinetic model predicts the observed reaction rate with 10% accuracy.1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Computed Properties of C10H20O5) was used in this study.

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Computed Properties of C10H20O5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Dynamics and Structural Diversity of Li+(Crown Ether) Supramolecular Cations in Electrically Conducting Salts》 was written by Sambe, Kohei; Hoshino, Norihisa; Takeda, Takashi; Nakamura, Takayoshi; Akutagawa, Tomoyuki. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane And the article was included in Journal of Physical Chemistry C in 2020. The article conveys some information:

Li+([12]crown-4)2(TCNQ)2 (1), Li+([15]crown-5)(TCNQ)2 (2a and 2b), and Li+([18]crown-6)(TCNQ)2·(H2O)2 (3) salts (TCNQ = 7,7,8,8-tetracyano-p-quinodimethane) were prepared and examined in terms of crystal structures, dielec. constants, magnetic susceptibilities, and elec. conductivities. The dynamic behavior of the small Li+ was easily activated inside the cavities of [15]crown-5 and [18]crown-6. In salt 2a, a structural phase transition at 160 K is thermally activated by a change in the -CN···Li+···NC- coordination from an asym. to a sym. environment. The phase-transition temperature for salt 2a is ∼25 K lower than that for the isostructural Na+([15]crown-5)(TCNQ)2, indicating that the behavior of Li+ inside the [15]crown-5 cavity is considerably more dynamic than that of Na+ in the same situation. Crystal polymorphs 2a and 2b are observed for Li+([15]crown-5) supramol. cations, where the two-dimensional intermol. interactions of TCNQs in salts 2a and 2b are constructed by the spanning-overlap mode of the π-dimers and π-tetramers, resp. The packing periodicity in the latter salt is twice that in the former, and this structural difference prevents the structural phase transition for salt 2b. In salt 3, the orientational disorder of Li+ inside the cavity of the [18]crown-6 is a combination of the dynamic behavior of Li+ itself and that of Li+-coordinated polar H2O mols., which are evidenced by two types of dielec. relaxation. Li+ is considerably smaller than Na+, allowing it to form a dynamic Li+···O coordination environment. The experimental part of the paper was very detailed, including the reaction process of 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Quality Control of 1,4,7,10,13-Pentaoxacyclopentadecane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

《Synthesis of 3-alkylideneisoindolin-1-ones via Sonogashira cyclocarbonylative reactions of 2-ethynylbenzamides》 was published in Journal of Organic Chemistry in 2020. These research results belong to Albano, Gianluigi; Giuntini, Stefano; Aronica, Laura Antonella. Quality Control of 1-Iodo-2-methoxybenzene The article mentions the following:

Cyclocarbonylative Sonogashira reactions of ortho-ethynylbenzamides were investigated. The process was carried out under CO pressure, in the presence of a very small amount of PdCl2(PPh3)2 (0.4 mol %) as a catalytic precursor, and without the need for a Cu salt as co-catalyst. 2-Ethynylbenzamide reacted successfully with iodoarenes bearing electron-withdrawing and electron-donating groups giving rise to different classes of compounds depending on the solvent used. On the contrary, N-(4-chlorophenyl)-2-ethynylbenzamide afforded exclusively polyfunctionalized isoindolinones I [R = H, 4-ClC6H4; Ar = Ph, 2-MeOC6H4, 4-MeOC6H4, 4-ClC6H4, 4-CNC6H4] with high stereoselectivity towards (E) isomers. In the experimental materials used by the author, we found 1-Iodo-2-methoxybenzene(cas: 529-28-2Quality Control of 1-Iodo-2-methoxybenzene)

1-Iodo-2-methoxybenzene(cas: 529-28-2) is a useful synthetic intermediate. It can be used in the synthesis of piperidinyl diaminopyrimidines as cyclin-dependent kinase inhibitors with antitumor activity and polysubstituted benzofuran derivatives as novel inhibitors of parasitic growth.Quality Control of 1-Iodo-2-methoxybenzene

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

In 2019,Chinese Chemical Letters included an article by Ali, Mohammad Chand; Liu, Ruirui; Chen, Jia; Cai, Tianpei; Zhang, Haijuan; Li, Zhan; Zhai, Honglin; Qiu, Hongdeng. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane. The article was titled 《New deep eutectic solvents composed of crown ether, hydroxide and polyethylene glycol for extraction of non-basic N-compounds》. The information in the text is summarized as follows:

Here we firstly report a series of new deep eutectic solvents (DESs) induced by small amounts of crown ether complex and mainly formed by polyethylene glycol. These DESs not only presented the ultra-deep extraction of non-basic N-compounds from fuel oils, but also opened up the possibility of other new applications in chem. and materials science. The experimental part of the paper was very detailed, including the reaction process of 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane)

1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5) is a member of crown ether Ligands. Crown-ethers are macrocyclic polyethers capable of forming host-guest complexes, especially with inorganic and organic cations. Crown-ethers can incorporate protonated primary amine compounds by formation of ion-dipole bonds with the oxygen atoms of the chiral selector. Crown-ethers have been widely used for the separation of several pharmaceuticals both in aqueous and non-aqueous media. Application In Synthesis of 1,4,7,10,13-Pentaoxacyclopentadecane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem