Month: October 2022

《Tetrasubstituted Thieno[3,2-b]thiophenes as Hole-Transporting Materials for Perovskite Solar Cells》 was written by Urieta-Mora, Javier; Garcia-Benito, Ines; Zimmermann, Iwan; Arago, Juan; Molina-Ontoria, Agustin; Orti, Enrique; Martin, Nazario; Nazeeruddin, Mohammad Khaja. Electric Literature of C14H15NO2 And the article was included in Journal of Organic Chemistry in 2020. The article conveys some information:

Three hole-transporting materials (HTMs) were prepared following a straightforward synthetic route by crosslinking arylamine-based ligands with a simple thieno[3,2-b]thiophene (TbT) core. The novel HTMs were fully characterized with standard techniques to gain insight into their optical and electrochem. properties and were incorporated in solution-processed mesoporous (FAPbI3)0.85(MAPbBr3)0.15 perovskite-based solar cells. The similar mol. structure of the synthesized HTMs was leveraged to investigate the role that the bridging units between the conjugated TbT core and the peripheral arylamine units plays on their properties and thereby on the photovoltaic response. A remarkable power conversion efficiency exceeding 18% was achieved for one of the TbT derivatives, which was slightly higher than the value measured for the benchmark spiro-OMeTAD. The results came from multiple reactions, including the reaction of Bis(4-methoxyphenyl)amine(cas: 101-70-2Electric Literature of C14H15NO2)

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.Electric Literature of C14H15NO2

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

《Design, synthesis and biological evaluation of novel N-[4-(2-fluorophenoxy)pyridin-2-yl]cyclopropanecarboxamide derivatives as potential c-Met kinase inhibitors》 was written by Liu, Ju; Gong, Yilin; Shi, Jiantao; Hao, Xuechen; Wang, Yang; Zhou, Yunpeng; Hou, Yunlei; Liu, Yajing; Ding, Shi; Chen, Ye. Quality Control of N,N-Dimethylformamide Dimethyl Acetal And the article was included in European Journal of Medicinal Chemistry in 2020. The article conveys some information:

Three series of novel 4-phenoxypyridine derivatives containing 4-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide, 5-methyl-4-oxo-1,4-dihydropyridazine-3-carboxamide and 4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide moieties, I [R1 = H, 4-F, 4-Cl, 2-F, 2-Cl, 4-MeO], II [R2 = H, 4-CF3, 3,4-(MeO)2, etc.], and III [R3 = H, 2-F, 3-Cl-4-F, etc.], resp., were synthesized and evaluated for their in-vitro inhibitory activities against c-Met kinase and cytotoxic activities against A549, H460, and HT-29 cancer cell lines. The results indicated that most of the compounds showed moderate to good antitumor activities. The most promising compound, III [R3 = H] (IV) (with c-Met IC50value of 0.016μM) showed remarkable cytotoxicity against A549, H460 and HT-29 cell lines with IC50 values of 1.59μM, 0.72μM and 0.56μM, resp. Their preliminary structure-activity relationship (SARs) studies indicate that linker 4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide was preferred, and electron-withdrawing groups on the terminal Ph rings are beneficial for improving the antitumor activities. Furthermore, colony formation, acridine orange/ethidium bromide (AO/EB) staining, apoptosis, and wound-healing assay of compound IV were performed on HT-29 and/or A549 cell lines. The results came from multiple reactions, including the reaction of N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Quality Control of N,N-Dimethylformamide Dimethyl Acetal)

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) 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.Quality Control of N,N-Dimethylformamide Dimethyl Acetal

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

Lipp, Alexander; Badir, Shorouk O.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A. published their research in Advanced Synthesis & Catalysis in 2021. The article was titled 《Catalyst-Free Decarbonylative Trifluoromethylthiolation Enabled by Electron Donor-Acceptor Complex Photoactivation》.Related Products of 60656-87-3 The article contains the following contents:

A catalyst- and additive-free decarbonylative trifluoromethylthiolation of aldehyde feedstocks has been developed. This operationally simple, scalable, and open-to-air transformation is driven by the selective photoexcitation of electron donor-acceptor (EDA) complexes, stemming from the association of 1,4-dihydropyridines (donor) with N-(trifluoromethylthio)phthalimide (acceptor), to trigger intermol. single-electron transfer events under ambient- and visible light-promoted conditions. Extension to other electron acceptors enables the synthesis of thiocyanates and thioesters, as well as the difunctionalization of [1.1.1]propellane. The mechanistic intricacies of this photochem. paradigm are elucidated through a combination of exptl. efforts and high-level quantum mech. calculations [dispersion-corrected (U)DFT, DLPNO-CCSD(T), and TD-DFT]. This comprehensive study highlights the necessity for EDA complexation for efficient alkyl radical generation. Computation of subsequent ground state pathways reveals that SH2 addition of the alkyl radical to the intermediate radical EDA complex is extremely exergonic and results in a charge transfer event from the dihydropyridine donor to the N-(trifluoromethylthio)phthalimide acceptor of the EDA complex. Exptl. and computational results further suggest that product formation also occurs via SH2 reaction of alkyl radicals with 1,2-bis(trifluoromethyl)disulfane, generated in-situ through combination of thiyl radicals. In the part of experimental materials, we found many familiar compounds, such as 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Related Products of 60656-87-3)

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) may be used in the following syntheses: (3S,5S)-methyl 6-benzyloxy-3,5-dihydroxyhexanoate ,(S)-5-benzyloxy-4-hydroxypentan-2-one, myxothiazols.Related Products of 60656-87-3

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

Bessam, S.; Reguig, F. Hamza; Krallafa, A. M.; Martinez-Haya, B. published their research in Physical Chemistry Chemical Physics in 2021. The article was titled 《Dynamics of coordination of H3O+ and NH4+ in crown ether cavities》.Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane The article contains the following contents:

Crown ethers stand out for their ability to form inclusion complexes with metal cations and pos. charged mol. moieties. Hydronium and ammonium interact strongly with crown ethers and potentially modulate their ionophoric activity in protic solvents and physiol. environments commonly involved in (bio)technol. applications. In this work, Born-Oppenheimer mol. dynamics (BOMD) computations are employed to gain insights into the coordination arrangements of H3O+ and NH4+ in the complexes with the native crown ethers 15-crown-5 (15c5) and 18-crown-6 (18c6). Both cations display dynamic changes in coordination inside the cavities of the crown ethers. On the one hand, hydronium explores different coordination arrangements, through rotation around its C3 axis in the 15c5 complex, and through breathing motions, involving rapid inversions of the O atom along the C3 axis in the 18c6 complex. On the other hand, ammonium undergoes a facile rotation in three dimensional space, leading to frequent changes in the NH bonds involved in the coordination with the crown ether. The reduced host-guest symmetry matching of the 15c5 macrocycle enhances the reorientation dynamics and, in the case of H3O+, it promotes short H-bonding distances yielding events of proton transfer to the crown ether. The IR vibrational spectra predicted by the BOMD computations within this dynamic framework reproduce with remarkable accuracy the action spectra of the isolated complexes obtained in previous IR laser spectroscopy experiments The exptl. observed band positions and broadening can then be rationalized in terms of orientational diffusion of the cations, changes in the coordinating H-bonding pairs sustaining the complex and eventual proton bridge formation. In addition to this study using 1,4,7,10,13-Pentaoxacyclopentadecane, there are many other studies that have used 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane) 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. Recommanded Product: 1,4,7,10,13-Pentaoxacyclopentadecane

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

Brebion, Franck; Gosmini, Romain; Deprez, Pierre; Varin, Marie; Peixoto, Christophe; Alvey, Luke; Jary, Helene; Bienvenu, Natacha; Triballeau, Nicolas; Blanque, Roland; Cottereaux, Celine; Christophe, Thierry; Vandervoort, Nele; Mollat, Patrick; Touitou, Robert; Leonard, Philip; Ceuninck, Frederic De; Botez, Iuliana; Monjardet, Alain; van der Aar, Ellen; Amantini, David published an article in 2021. The article was titled 《Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis》, and you may find the article in Journal of Medicinal Chemistry.Electric Literature of C9H10O2 The information in the text is summarized as follows:

There are currently no approved disease-modifying osteoarthritis (OA) drugs (DMOADs). The aggrecanase ADAMTS-5 is key in the degradation of human aggrecan (AGC), a component of cartilage. Therefore, ADAMTS-5 is a promising target for the identification of DMOADs. We describe the discovery of GLPG1972/S201086, a potent and selective ADAMTS-5 inhibitor obtained by optimization of a promising hydantoin series following an HTS. Biochem. activity against rat and human ADAMTS-5 was assessed via a fluorescence-based assay. ADAMTS-5 inhibitory activity was confirmed with human aggrecan using an AGC ELISA. The most promising compounds were selected based on reduction of glycosaminoglycan release after interleukin-1 stimulation in mouse cartilage explants and led to the discovery of GLPG1972/S201086. The anticatabolic activity was confirmed in mouse cartilage explants (IC50 < 1.5μM). The cocrystal structure of GLPG1972/S201086 with human recombinant ADAMTS-5 is discussed. GLPG1972/S201086 has been investigated in a phase 2 clin. study in patients with knee OA (NCT03595618). The results came from multiple reactions, including the reaction of 2-(Benzyloxy)acetaldehyde(cas: 60656-87-3Electric Literature of C9H10O2)

2-(Benzyloxy)acetaldehyde(cas: 60656-87-3) is a non-natural aldehyde. It undergoes enantioselective Mukaiyama aldol reaction with silylketene acetal nucleophiles in the presence of C2-symmetric bis(oxazolinyl)pyridine Cu(II) complex (catalyst).Electric Literature of C9H10O2

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

Ding, Y.-F.; La, Y.-T.; Li, W.-D.; Yao, G.-X.; Wang, L.; Dong, W.-K. published an article in 2021. The article was titled 《Experimental and Theoretical Studies of Two New Trinuclear Ni(II) Asymmetric Salamo-Based Complexes》, and you may find the article in Russian Journal of General Chemistry.Recommanded Product: 2-Hydroxy-4-methoxybenzaldehyde The information in the text is summarized as follows:

Two new trinuclear Ni(II) complexes, [{Ni(L)(DMF)(μ-OAc)}2Ni] (1) and [{Ni(L)(EtOH)(μ-OAc)}2Ni]·2CH2Cl2 (2), have been successfully synthesized from a new asym. salamo-based hexa-dentate chelating ligand (H2L) and Ni(OAc)2·4H2O, and characterized by elemental anal., IR and UV-Vis spectra, and X-ray crystallog. The binding ratio of H2L and Ni(II) ion has been confirmed by UV-Vis titration All Ni(II) atoms are hexa-coordinated, and the complexes have octahedral configuration, though with difference in the solvent mols. (DMF/EtOH) involved in the coordination, composition of the hydrogen bond and chem. stability. This conclusion is confirmed by Hirshfeld surfaces analyses and D. Functional Theory (DFT). In the part of experimental materials, we found many familiar compounds, such as 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Recommanded Product: 2-Hydroxy-4-methoxybenzaldehyde)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.Recommanded Product: 2-Hydroxy-4-methoxybenzaldehyde

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

In 2022,Ch. Gagieva, Svetlana; Kurmaev, Dmitrii A.; Tuskaev, Vladislav A.; Khrustalev, Viktor N.; Churakov, Andrei V.; Golubev, Evgenii K.; Sizov, Alexander I.; Zvukova, Tamara M.; Buzin, Mikhail I.; Nikiforova, Galina G.; Evseeva, Maria D.; Bulychev, Boris M. published an article in European Polymer Journal. The title of the article was 《First example of cationic titanium (III) complexes with crown ether as catalysts for ethylene polymerization》.Recommanded Product: 33100-27-5 The author mentioned the following in the article:

Complex cations with a vacant coordination site are considered as the most plausible catalytically active centers of metallocene and post-metallocene polymerization catalysts. For the first time we demonstrated that cationic titanium (III) complexes stabilized with crown ether can be used as pre-catalysts for ethylene polymerization In the presence of alkyl aluminum chlorides and MgBu2 as cocatalysts, these complexes catalyze ethylene polymerization to produce Ultra High Mol. Weight Polyethylene (UHMWPE) with productivity up to 4650 kgPE/molTi h·atm and mol. weight up to 1.8·106 Da. UHMWPE powders were processed by the solid-phase method with subsequent orientation drawing into high-strength (1.4-2.1 GPa) and high-modulus (91-118 GPa) films. In the part of experimental materials, we found many familiar compounds, such as 1,4,7,10,13-Pentaoxacyclopentadecane(cas: 33100-27-5Recommanded Product: 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. Recommanded Product: 33100-27-5

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

In 2022,Khan, Danish; Parveen, Iram; Shaily; Sharma, Saurabh published an article in Asian Journal of Organic Chemistry. The title of the article was 《Design, Synthesis and Characterization of Aurone Based α,β-unsaturated Carbonyl-Amino Ligands and their Application in Microwave Assisted Suzuki, Heck and Buchwald Reactions》.Application In Synthesis of 1-Bromo-3-methoxybenzene The author mentioned the following in the article:

A new series of phosphine-free aurone-based α,β-unsaturated carbonyl-amino bidentate ligands I [R1 = 2-furanyl, Ph, 3-4-dimethoxyphenyl, etc.; R2 = Ph, 3-nitrophenyl, 1-naphthyl, etc.] were synthesized and characterized via different anal. techniques such as IR, 1H-NMR, 13C-NMR and mass spectrometry. Moreover, the structure of ligand I [R1 = 2-furanyl; R2 = 2-nitrophenyl] was also characterized by single-crystal X-ray diffraction. The synthesized ligands I with the PdCl2 salt showed excellent catalytic activity in the Suzuki-Miyaura, Mizoroki-Heck and Buchwald-Hartwig reactions. A broad range of substrates including heterocycles, chalcones and sterically hindered coupling partners were well tolerated in the developed protocol. Addnl., the metal complex formed in the catalytic cycle was characterized by 1H-NMR spectroscopy and mass spectrometry. In the experimental materials used by the author, we found 1-Bromo-3-methoxybenzene(cas: 2398-37-0Application In Synthesis of 1-Bromo-3-methoxybenzene)

1-Bromo-3-methoxybenzene(cas: 2398-37-0) can be used in chemical reaction as intermediates to obtain target materials such as dyes, pharmaceuticals, perfumes, photoinitiators and agrochemicals.Application In Synthesis of 1-Bromo-3-methoxybenzene

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

Reference of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamateIn 2022 ,《Detecting the insoluble protein aggregates in live cells using an AIE derivative of fluorescent protein chromophore》 appeared in Sensors and Actuators, B: Chemical. The author of the article were Liu, Lihua; Jin, Wenhan; Huang, Yanan; Dai, Jianan; Zheng, Xuwei; Liu, Yu; Ju, Minzi; Shen, Baoxing. The article conveys some information:

Many incurable or unmanageable human protein conformational diseases are associated with the misfolding or aggregation of the aberrantly processed or mutant proteins. In this work, we report an aggregation-induced emission (AIE) derivative of fluorescent protein chromophore used to detect the insoluble protein aggregates in live cells. Based on the 4-hydroxybenzylidene-imidazolinone (HBI), we designed and synthesized a series of AIEgens that span a wide range of viscosity coefficients (χ), thus mimicking the viscous microenvironment of a wide variety of amorphous protein aggregates. The mechanism of these AIEgens were systematically investigated using a combination of photophys. studies, computational analyses and structure-function studies. With the aid of the AggTag method, the optimized probe was used to realize the imaging of the aggregated proteome under the control of the proteostasis network. Besides, we also described the formation and decomposition of protein aggregates under the control of small mol. proteostasis regulators. Briefly, we developed a series of AIEgens that explore varying viscosity sensitivities to visualize protein aggregation in live cells as well as study other biol. processes that associated with local viscosity changes. The results came from multiple reactions, including the reaction of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Reference of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate)

tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6) belongs to ethers.Oxygen is more electronegative than carbon, thus the alpha hydrogens of ethers are more acidic than those of simple hydrocarbons. Reference of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate They are far less acidic than alpha hydrogens of carbonyl groups (such as in ketones or aldehydes), however.

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

Application of 139115-91-6In 2018 ,《Cyclin-dependent kinase 12 is a drug target for visceral leishmaniasis》 appeared in Nature (London, United Kingdom). The author of the article were Wyllie, Susan; Thomas, Michael; Patterson, Stephen; Crouch, Sabrinia; De Rycker, Manu; Lowe, Rhiannon; Gresham, Stephanie; Urbaniak, Michael D.; Otto, Thomas D.; Stojanovski, Laste; Simeons, Frederick R. C.; Manthri, Sujatha; MacLean, Lorna M.; Zuccotto, Fabio; Homeyer, Nadine; Pflaumer, Hannah; Boesche, Markus; Sastry, Lalitha; Connolly, Paul; Albrecht, Sebastian; Berriman, Matt; Drewes, Gerard; Gray, David W.; Ghidelli-Disse, Sonja; Dixon, Susan; Fiandor, Jose M.; Wyatt, Paul G.; Ferguson, Michael A. J.; Fairlamb, Alan H.; Miles, Timothy J.; Read, Kevin D.; Gilbert, Ian H.. The article conveys some information:

Visceral leishmaniasis causes considerable mortality and morbidity in many parts of the world. There is an urgent need for the development of new, effective treatments for this disease. Here we describe the development of an anti-leishmanial drug-like chem. series based on a pyrazolopyrimidine scaffold. The leading compound from this series (7, DDD853651/GSK3186899) is efficacious in a mouse model of visceral leishmaniasis, has suitable physicochem., pharmacokinetic and toxicol. properties for further development, and has been declared a preclin. candidate. Detailed mode-of-action studies indicate that compounds from this series act principally by inhibiting the parasite cdc-2-related kinase 12 (CRK12), thus defining a druggable target for visceral leishmaniasis. The experimental process involved the reaction of tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate(cas: 139115-91-6Application of 139115-91-6)

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

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