Month: November 2022

《N-Directed fluorination of unactivated Csp3-H bonds》 was published in Chemical Science in 2020. These research results belong to Pinter, Emily N.; Bingham, Jenna E.; AbuSalim, Deyaa I.; Cook, Silas P.. Recommanded Product: 4048-33-3 The article mentions the following:

Leveraging insights gained from both computations and experimentation, author enabled the use of the ubiquitous amine functional group as a handle for the directed C-H fluorination of Csp3-H bonds. By converting primary amines to adamantoyl-based fluoroamides, site-selective C-H fluorination proceeds under the influence of a simple iron catalyst in 20 min. Computational studies revealed a unique reaction coordinate for the catalytic process and offer an explanation for the high site selectivity. The experimental process involved the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3Recommanded Product: 4048-33-3)

6-Aminohexan-1-ol(cas: 4048-33-3) may be used along with glutaric acid to generate poly(ester amide)s with excellent film- and fiber forming properties. It can undergo cyclization over copper supported on γ-alumina and magnesia to form hexahydro-1H-azepine.Recommanded Product: 4048-33-3

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Alcohol – Wikipedia,
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《Effect of the distant substituent on the slow magnetic relaxation of the mononuclear Co(II) complex with pincer-type ligands》 was published in Dalton Transactions in 2020. These research results belong to Rajnak, Cyril; Titis, Jan; Moncol’, Jan; Boca, Roman. Name: 2,6-Pyridinedimethanol The article mentions the following:

A hexacoordinated complex [Co(pydm)2](mdnbz)2 from the family of pincer complexes was prepared and structurally characterized. The complex behaves as an S = 3/2 spin system with a considerable zero-field splitting parameter D/hc ~+50 cm-1. The a.c. susceptibility measurements show a slow magnetic relaxation with three relaxation channels: at the low-frequency (LF), intermediate-frequency (IF) and high-frequency (HF) domains. At T = 2.0 K and an external field BDC = 0.25 T, the relaxation times of the individual modes are τ(LF) = 282 ms, τ(IF) = 3.1 ms, and τ(HF) = 0.16 ms, and the mole fractions of the slowly relaxing species are x(LF) = 0.19, x(IF) = 0.45, and x(HF) = 0.37. A comparison with the analogous complex [Co(pydm)2](dnbz)2 possessing a demethylated counteranion and identical metal cation shows that even small modifications in the composition of SIMs are no longer underestimated for the slow magnetic relaxation. In addition to this study using 2,6-Pyridinedimethanol, there are many other studies that have used 2,6-Pyridinedimethanol(cas: 1195-59-1Name: 2,6-Pyridinedimethanol) was used in this study.

2,6-Pyridinedimethanol(cas: 1195-59-1) 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. Name: 2,6-Pyridinedimethanol

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《Catalyst-Free N-Deoxygenation by Photoexcitation of Hantzsch Ester》 was written by Konev, Mikhail O.; Cardinale, Luana; Jacobi von Wangelin, Axel. Name: Oxetan-3-ol And the article was included in Organic Letters in 2020. The article conveys some information:

A mild and operationally simple protocol for the deoxygenation of a variety of heteroaryl N-oxides and nitroarenes has been developed. A mixture of substrate and Hantzsch ester is proposed to result in an electron donor-acceptor complex, which upon blue-light irradiation undergoes photoinduced electron transfer between the two reactants to afford the products. N-oxide deoxygenation is demonstrated with 22 examples of functionally diverse substrates, and the chemoselective reduction of nitroarenes to the corresponding hydroxylamines is also shown.Oxetan-3-ol(cas: 7748-36-9Name: Oxetan-3-ol) was used in this study.

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Name: Oxetan-3-ol

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Alcohol – Wikipedia,
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《Electrochemical alcohols oxidation mediated by N-hydroxyphthalimide on nickel foam surface》 was written by Behrouzi, Leila; Bagheri, Robabeh; Mohammadi, Mohammad Reza; Song, Zhenlun; Chernev, Petko; Dau, Holger; Najafpour, Mohammad Mahdi; Kaboudin, Babak. HPLC of Formula: 100-55-0 And the article was included in Scientific Reports in 2020. The article conveys some information:

Alc. to aldehyde conversion is a critical reaction in the industry. Herein, a new electrochem. method is introduced that converts 1 mmol of alcs. to aldehydes and ketones in the presence of N-hydroxyphthalimide (NHPI, 20 mol%) as a mediator; this conversion is achieved after 8.5 h at room temperature using a piece of Ni foam (1.0 cm2) and without adding an extra-base or a need for high temperature Using this method, 10 mmol (1.08 g) of benzyl alc. was also successfully oxidized to benzaldehyde (91%) without any byproducts. This method was also used to oxidize other alcs. with high yield and selectivity. In the absence of a mediator, the surface of the nickel foam provided oxidation products at the lower yield. After the reaction was complete, nickel foam (anode) was characterized by a combination of SEM (SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS), XPS, and spectroelectrochem., which pointed to the formation of nickel oxide on the surface of the electrode. On the other hand, using other electrodes such as Pt, Cu, Fe, and graphite resulted in a low yield for the alc. to aldehyde conversion. In the experimental materials used by the author, we found 3-Pyridinemethanol(cas: 100-55-0HPLC of Formula: 100-55-0)

3-Pyridinemethanol(cas: 100-55-0) 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.HPLC of Formula: 100-55-0

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《Modeling the protein-nucleic acid base interactions through hydrogen-bonded complexes of N-heterocyclic analogs of Indene with amino acid side-chain mimics》 was written by Chopra, Neha; Chopra, Geetanjali; Kaur, Damanjit. Name: Oxetan-3-ol And the article was included in Structural Chemistry in 2020. The article conveys some information:

A series of hydrogen-bonded complexes between N-heterocyclic analogs of indene and amino acid side-chain mimics were analyzed employing second-order Moller-Plesset perturbation (MP2) theory and d. functional theory with dispersion function (DFT-D) calculations with the aim of gaining greater insight in to the nature of intermol. interactions in these systems. In this study, the hydrogen bonding ability of N-heterocyclic analogs of indene towards amino acid side-chain mimics followed the sequence azaindazole (AIND) > indazole (IND) > azaindole (AIN) > indole (IN) whereas the hydrogen bonding ability of amino acid side-chain mimics towards N-heterocyclic analogs of indene followed the sequence AcOH > MeNH2 > MeOH > MeSH. Bader’s theory of atoms in mols. (AIM) and natural bond orbitals (NBO) analyses were employed to elucidate the interaction characteristics in the complexes under study. The purpose of conducting these studies was to measure the relative strength of hydrogen bonding interactions such as N-H···O=C, N-H···O, N-H···S, N-H···N, and O-H···N in these complexes and their role in providing stability to the complexes. The AIM theory showed good correlation of the electron d. and its Laplacian at the bond critical points (BCP) with the computed stabilization energy for all the complexes under study. The results came from multiple reactions, including the reaction of Oxetan-3-ol(cas: 7748-36-9Name: Oxetan-3-ol)

Oxetan-3-ol(cas: 7748-36-9) is used as a reagent in the synthesis of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. It is also used as a reagent in the synthesis of cyclic sulfone hydroxyethylamines as potent and selective β-site APP-cleaving enzyme 1 (BACE1) inhibitors.Name: Oxetan-3-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Synthesis, In Silico Studies, Antiprotozoal and Cytotoxic Activities of Quinoline-Biphenyl Hybrids》 was written by Coa, Juan Carlos; Yepes, Andres; Carda, Miguel; Conesa-Milian, Laura; Upegui, Yulieth; Robledo, Sara M.; Cardona-G, Wilson. Name: 2-Hydroxyphenylboronic acid And the article was included in ChemistrySelect in 2020. The article conveys some information:

The synthesis, in-silico studies, antiprotozoal and cytotoxic activities of eleven quinoline-biphenyl hybrids I [R = H, 4-HO, 3,4-di-MeO] were described. The structure of the synthesized products was elucidated by a combination of spectrometric anal. The synthesized compounds I were evaluated against Plasmodium falciparum and amastigotes forms both Leishmania (V)panamensis and Trypanosoma cruzi. Cytotoxicity was evaluated against human U-937 macrophages. Compound I [R = H] showed similar activity than meglumine antimoniate and compound I [R = 4-HO] exhibited an activity similar to that of benznidazole. Compound I [R = 3,4-di-MeO] showed the best activity against P. falciparum. Although these compounds were toxic for mammalian U-937 cells, however they may still have potential to be considered as candidates for drug development because of their antiparasite activity. Mol. docking was used to determine the in-silico inhibition of some of the designed compounds against PfLDH and cruzipain, two important pharmacol. targets involved in antiparasitic diseases. All hybrids I were docked to the three-dimensional structures of PfLDH and T. cruzi cruzipain as enzymes using AutoDock Vina. Notably, the docking results showed that the most active compoundsI [R = 4-HO] (CE50: 11.33μg/mL for T. cruzi) and I [R = 3,4-di-MeO] (CE50: 8.84μg/mL for P. falciparum) exhibited the highest scoring pose (-7.5 and -7.7 kcal/mol, resp.). This result showed a good correlation between the predicted scores with the exptl. data profile, suggesting that these ligands could act as competitive inhibitors of PfLDH or T. cruzi cruzipain enzymes resp. Finally, in-silico ADME studies of the quinoline hybrids showed that these novel compounds have suitable drug-like properties, making them potentially promising agents for antiprotozoal therapy. In the experiment, the researchers used 2-Hydroxyphenylboronic acid(cas: 89466-08-0Name: 2-Hydroxyphenylboronic acid)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Name: 2-Hydroxyphenylboronic acid

Referemce:
Alcohol – Wikipedia,
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《3-Hydroxybenzaldehyde and 4-Hydroxybenzaldehyde enhance survival of mouse astrocytes treated with Angiostrongylus cantonensis young adults excretory/secretory products》 was written by Chen, Kuang-Yao; Chen, Yi-Ju; Cheng, Chien-Ju; Jhan, Kai-Yuan; Chiu, Cheng-Hsun; Wang, Lian-Chen. Electric Literature of C7H6O2 And the article was included in Biomedical Journal in 2021. The article conveys some information:

Human cerebral angiostrongyliasis, induced by Angiostrongylus cantonensis, is an emerging disease in many parts of the world. A. cantonensis is also an important causative agent of eosinophilic meningitis and eosinophilic meningoencephalitis in humans. 3-Hydroxybenzaldehyde (3-HBA) and 4-Hydroxybenzaldehyde (4-HBA) have been shown to increase intracellular antioxidant activity, vasculoprotective potency, wound healing, and cell migration. However, the function of 3-HBA and 4-HBA in mouse astrocytes in response to A. cantonensis young adults excretory-secretory products (ESPs) treatment remains unclear. Here, we examined the effect of 3-HBA and 4-HBA by real-time qPCR, western blotting, and cell viability assay in astrocytes after A. cantonensis young adults ESPs treatment. The real-time qPCR, western blotting were employed to detect the expression of apoptosis- and Shh pathway-related mol. The percentage of cell viability was monitored by CCK-8 assay. We demonstrated that expression of apoptosis-related mols. was increased in response to A. cantonensis young adults ESPs treatment. However, the cell viability of astrocytes was elevated by treatment with 3-HBA and 4-HBA. Further investigation found that 3-HBA and 4-HBA activate the Shh signaling pathway and inhibit apoptosis-related mol. expression. These findings were confirmed using A. cantonensis young adults ESPs to activate apoptosis-related pathways in astrocytes. Moreover, 3-HBA and 4-HBA induced a protective phenotype through regulation of apoptosis in response to A. cantonensis young adults ESPs treatment. Hence, 3-HBA and 4-HBA represent potential therapeutic drugs for the treatment of human angiostrongyliasis. The results came from multiple reactions, including the reaction of 3-Hydroxybenzaldehyde(cas: 100-83-4Electric Literature of C7H6O2)

3-Hydroxybenzaldehyde(cas: 100-83-4) can be used as a reactant along with ethyl acetoacetate and thiourea in the synthesis of corresponding dihydropyrimidine-2-thione (monastrol), using Yb(OTf)3 as a catalyst by Biginelli cyclocondensation reaction.Electric Literature of C7H6O2

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Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Chirik, Paul J. published their research in Organic Letters in 2021. The article was titled 《Cobalt-Catalyzed C(sp2)-C(sp3) Suzuki-Miyaura Cross Coupling》.Application of 24388-23-6 The article contains the following contents:

A cobalt-catalyzed method for the C(sp2)-C(sp3) Suzuki-Miyaura cross coupling of aryl boronic esters and alkyl bromides is described. Cobalt-ligand combinations were assayed with high-throughput experimentation, and cobalt(II) sources with trans-N,N’-dimethylcyclohexane-1,2-diamine (DMCyDA, L1) produced optimal yield and selectivity. The scope of this transformation encompassed steric and electronic diversity on the aryl boronate nucleophile as well as various levels of branching and synthetically valuable functionality on the electrophile. Radical trap experiments support the formation of electrophile-derived radicals during catalysis. The experimental process involved the reaction of 4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6Application of 24388-23-6)

4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6) can be used as a substrate in the study of Suzuki–Miyaura coupling of various aryl iodides over SiliaCat Pd(0).Application of 24388-23-6

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Le Barbu-Debus, Katia; Zehnacker, Anne published their research in Chirality in 2021. The article was titled 《Competition between inter and intramolecular hydrogen bond evidenced by vibrational circular dichroism spectroscopy: The case of (1S,2R)-(-)-cis-1-amino-2-indanol》.Safety of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol The article contains the following contents:

The IR (IR) absorption and vibrational CD (VCD) spectra of an intramolecularly hydrogen-bonded chiral amino-alc., (1S,2R)-(-)-cis-1-amino-2-indanol, are studied in DMSO-d6. The spectra are simulated at the d. functional theory (DFT) level within the frame of the cluster-in-the-liquid model. Both IR and VCD spectra show a clear signature of the formation of intermol. hydrogen bonds at the detriment of the intramol. OH …N interaction present in the isolated mol. Two solvent mols. are necessary to reproduce the exptl. spectra. Whereas the first DMSO mol. captures the main spectral modifications due to hydrogen bond formation between the solute and the solvent, the second DMSO mol. is necessary for a good description of the Boltzmann contribution of the different complexes, based on their Gibbs free energy.(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7Safety of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol) was used in this study.

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. Primary amines having a tertiary alkyl group (R3CNH2) are difficult to prepare with most methods but are made industrially by the Ritter reaction. In this method a tertiary alcohol reacts with hydrogen cyanide (HCN) in the presence of a concentrated strong acid; a formamide, RNH―CHO, is formed first, which then undergoes hydrolysis.Safety of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol

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Tamaki, Shota; Kitada, Nobuo; Kiyama, Masahiro; Fujii, Rika; Hirano, Takashi; Kim, Sung Bae; Maki, Shojiro published their research in Scientific Reports in 2021. The article was titled 《Color-tunable bioluminescence imaging portfolio for cell imaging》.SDS of cas: 78782-17-9 The article contains the following contents:

The present study describes a color-tunable imaging portfolio together with twelve novel coelenterazine (CTZ) analogs. The three groups of CTZ analogs create diverse hues of bioluminescence (BL) ranging from blue to far red with marine luciferases. We found that the hue completes the whole color palette in the visible region and shows red-shifted BL with a marine luciferase: for example, Renilla luciferase 8 (RLuc8) and Artificial Luciferase 16 (ALuc16) show 187 nm- and 105 nm-red shifted spectra, resp., by simply replacing the substrate CTZ with 1d. The optical properties of the new CTZ analogs were investigated such as the kinetic parameters, dose dependency, and luciferase specificity. The 2-series CTZ analogs interestingly have specificity to ALucs and are completely dark with RLuc derivatives, and 3d is highly specific to only NanoLuc. We further determined the theor. background of the red-shifted BL maximum wavelengths (λBL) values according to the extended π conjugation of the CTZ backbone using D. Functional Theory (DFT) calculations This color-tunable BL imaging system provides a useful multicolor imaging portfolio that efficiently images mol. events in mammalian cells. In the experiment, the researchers used many compounds, for example, Bis[(pinacolato)boryl]methane(cas: 78782-17-9SDS of cas: 78782-17-9)

Bis[(pinacolato)boryl]methane(cas: 78782-17-9) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry. This stems from their ease of preparation combined with their ability to undergo a broad range of chemical transformations.SDS of cas: 78782-17-9

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