Month: October 2022

《Green protocol for synthesis of MgFe2O4 nanoparticles and study of their activity as an efficient catalyst for the synthesis of chromene and pyran derivatives under ultrasound irradiation》 was written by Eshtehardian, Bahar; Rouhani, Morteza; Mirjafary, Zohreh. Application In Synthesis of 3-Hydroxybenzaldehyde And the article was included in Journal of the Iranian Chemical Society in 2020. The article conveys some information:

In this study, the MgFe2O4 nanoparticles were synthesized via a green and simple approach. Then an effective procedure to synthesize 2-amino-7-hydroxy-4H-chromene derivatives I (R = H, 2-MeC6H4, 2-FC6H4, etc.) and tetrahydrobenzo[b]pyran derivatives II (R1 = H, 2-ClC6H4, 3-MeOC6H4, etc.) was established through the chem. reaction between different aldehydes, malononitrile and resorcinol (or dimedone) in the presence of MgFe2O4 nanoparticles as a beneficial catalyst in ethanol as solvent under ultrasound irradiation Moreover, the synthesized MgFe2O4 nanoparticles were easily recovered by an external magnet and reused for four times without significant loss of their catalytic activity. Simple, fast, effective and eco-friendly as well as quick purification method along with high product yields are some of the advantages of the present chem. reaction. In the part of experimental materials, we found many familiar compounds, such as 3-Hydroxybenzaldehyde(cas: 100-83-4Application In Synthesis of 3-Hydroxybenzaldehyde)

3-Hydroxybenzaldehyde(cas: 100-83-4) is used as an ionophore, during the development of an highly selective and sensitive PVC membrane sensor, which can be used as a Tb3+ ion selective electrode.Application In Synthesis of 3-Hydroxybenzaldehyde

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《Aliphatic Oxaboroles Enabling Remarkable Recognition of Diols》 was written by Arakawa, Nozomi; Nagao, Kazunori; Murakami, Ryo; Sumida, Yuto; Arakawa, Hiroshi; Inagaki, Fuyuhiko; Ohmiya, Hirohisa. Quality Control of Bis[(pinacolato)boryl]methane And the article was included in Bulletin of the Chemical Society of Japan in 2020. The article conveys some information:

5-Membered ring aliphatic oxaboroles revealed unique characteristics in their reactivity with diols. The aliphatic oxaborole derivatives exhibited a higher complexation activity for Alizarin Red S than phenyl-, alkylboronic acid, benzoxaborole, and oxaborin. Furthermore, the sugar recognition ability depended on the chirality of the aliphatic boroles. In the experiment, the researchers used many compounds, for example, Bis[(pinacolato)boryl]methane(cas: 78782-17-9Quality Control of Bis[(pinacolato)boryl]methane)

Bis[(pinacolato)boryl]methane(cas: 78782-17-9) belongs to organoboron compounds.Quality Control of Bis[(pinacolato)boryl]methane 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.

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《Synthesis and evaluation of 7-azaindole derivatives bearing benzocycloalkanone motifs as protein kinase inhibitors》 was written by Qhobosheane, Malikotsi A.; Legoabe, Lesetja J.; Josselin, Beatrice; Bach, Stephane; Ruchaud, Sandrine; Petzer, Jacobus P.; Beteck, Richard M.. Electric Literature of C3H6O2 And the article was included in Bioorganic & Medicinal Chemistry in 2020. The article conveys some information:

The synthesis and biol. evaluation of new 7-azaindole derivatives I [X = O, CH2, (CH2)2, CH2O, CH2S; R = H, 6-OH, 6,7-(MeO)2, etc.] bearing benzocycloalkanone motifs as potential protein kinase inhibitors are reported. Four compounds I [X = (CH2)2, R = H, 6-OH; X = CH2, R = 5,6-(MeO)2; X = O, R = 6-OH] were discovered to inhibit cyclin-dependent kinase 9 (CDK9/CyclinT) and/or Haspin kinase in the micromolar to nanomolar range. The compound I [X = O, R = 6-OH] was identified as the most potent Haspin inhibitor (IC50 = 14 nM), while I [X = (CH2)2; R = H, 6-OH] acted as dual inhibitors of CDK9/CyclinT and Haspin. These novel compounds constitute a promising starting point for the discovery of dual protein kinase inhibitors that have potential to be developed as anticancer agents, since both CDK9/CyclinT and Haspin are considered to be drug targets in oncol. In the experimental materials used by the author, we found Oxetan-3-ol(cas: 7748-36-9Electric Literature of C3H6O2)

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.Electric Literature of C3H6O2

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Noroozi, Javad; Smith, William R. published their research in Journal of Chemical Information and Modeling in 2021. The article was titled 《Force-Field-Based Computational Study of the Thermodynamics of a Large Set of Aqueous Alkanolamine Solvents for Post-Combustion CO2 Capture》.Related Products of 534-03-2 The article contains the following contents:

The ability to predict the thermodn. properties of amine species in CO2-loaded aqueous solutions, including their deprotonation (pKa) and carbamate to bicarbonate reversion (pKc) equilibrium constants and their corresponding standard reaction enthalpies, is of critical importance for the design of improved carbon capture solvents. In this study, we used isocoulombic forms of both reactions to determine these quantities for a large set of aqueous alkanolamine solvent systems. Our hybrid approach involves using classical mol. dynamics simulations with the general amber force field (GAFF) and semi-empirical AM1-BCC charges (GAFF/AM1-BCC) in the solution phase, combined with high-level composite quantum chem. ideal-gas calculations We first determined a new force field (FF) for the hydronium ion (H3O+) by matching to the single exptl. pKa data point for the well-known monoethanolamine system at 298.15 K. We then used this FF to predict the pKa values for 76 other amines at 298.15 K and for all 77 amines at elevated temperatures Addnl., we indirectly relate the H3O+ hydration free energy to that of H+ and provide expressions for intrinsic hydration free energy and enthalpy of the proton. Using the derived H3O+ FF, we predicted the pKa values of a diverse set of alkanolamines with an overall average absolute deviation of less than 0.72 pKa units. Furthermore, the derived H3O+ FF is able to predict the protonation enthalpy of these amines when used with the GAFF. We also predicted the carbamate reversion constants of the primary and secondary amine species in the data set and their corresponding standard heats of reaction, which we compared with the scarcely available exptl. data, which are often subject to significant uncertainty. Finally, we also described the influence of electronic and steric effects of different mol. fragments/groups on the stabilities of the carbamates. In the experimental materials used by the author, we found 2-Aminopropane-1,3-diol(cas: 534-03-2Related Products of 534-03-2)

2-Aminopropane-1,3-diol(cas: 534-03-2) 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.Related Products of 534-03-2

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Alcohol – Wikipedia,
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Gangireddy, Madhu Sudhana Reddy; Mantipally, Manohar; Badavath, Vishnu Nayak; Maddipati, Venkatanarayana Chowdary; Paidikondala, Kalyani; Katari, Naresh Kumar; Gundla, Rambabu published their research in Chemical Data Collections in 2021. The article was titled 《Design, synthesis and molecular docking of piperidin-4-amine linked pyrimidine derivatives as potent anticancer agents》.Synthetic Route of C6H13NO The article contains the following contents:

A series of rationally designed novel hybrid piperidin-4-amine linked pyrimidine derivatives I [R = n-propylamino, cyclobutylamino, phenylethylamino, etc.] were synthesized. Compound I [R = 3,4-dimethoxyphenylethylamino] was found to be most potent with (IC50 = 1.92μM, 60.94% inhibition), while I [R = 4-pyridylethylamino] (IC50 of 5.2μM, 66.45% inhibition), the second most potent among all, against HepG2 human liver cancer cell lines. Compounds I [R = 4-pyridylethylamino, 4-fluorophenylmethylamino] exhibited excellent inhibition percentages of 66.45 and 68.76 resp., compared to pos. control Paclitaxel (62.12%). In-silico target hunting for the potent compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] revealed two possible targets, one was binding with human estrogen receptor and other one was inhibiting tubulin polymerization The mol. docking studies suggested that compounds I [R = 3,4-dimethoxyphenylethylamino, 4-pyridylethylamino] with hydrophobic group linked by an alkyl chain may facilitate free access in the Helix 12 domain (in determining potency plays a crucial role) in the human estrogen receptor’s active and also inhibiting the tubulin polymerase by binding site at α/β-tubuline interface at colchicine binding site. The experimental part of the paper was very detailed, including the reaction process of trans-4-Aminocyclohexanol(cas: 27489-62-9Synthetic Route of C6H13NO)

trans-4-Aminocyclohexanol(cas: 27489-62-9) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Synthetic Route of C6H13NO

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Sharma, Hayden A.; Essman, Jake Z.; Jacobsen, Eric N. published their research in Science (Washington, DC, United States) in 2021. The article was titled 《Enantioselective catalytic 1,2-boronate rearrangements》.HPLC of Formula: 24388-23-6 The article contains the following contents:

A strategy that facilitates the construction of a wide variety of trisubstituted stereocenters through a catalytically accessed common chiral intermediate could prove highly enabling for the field of synthetic chem. The authors report the discovery of enantioselective, catalytic 1,2-boronate rearrangements for the synthesis of α-chloro pinacol boronic esters from readily available boronic esters and CH2Cl2. The chiral building blocks produced in these reactions can undergo two sequential stereospecific elaborations to generate a wide assortment of trisubstituted stereocenters. The enantioselective reaction is catalyzed by a Li-isothiourea-boronate complex, which is proposed to promote rearrangement through a dual-Li-induced chloride abstraction orchestrated by Lewis basic functionality on the catalyst scaffold. After reading the article, we found that the author used 4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6HPLC of Formula: 24388-23-6)

4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6) can be used to prepare sulfinamide derivatives by reacting with diethylaminosulfur trifluoride (DAST) and potassium phenyltrifluoroborate.HPLC of Formula: 24388-23-6

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Alcohol – Wikipedia,
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Fenton, Julie L.; Burke, David W.; Qian, Dingwen; Cruz, Monica Olvera de la; Dichtel, William R. published an article in 2021. The article was titled 《Polycrystalline Covalent Organic Framework Films Act as Adsorbents, Not Membranes》, and you may find the article in Journal of the American Chemical Society.Application In Synthesis of 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde The information in the text is summarized as follows:

Covalent organic framework (COF) membranes are of great promise for energy-efficient separations Thick, polycrystalline COF films have been reported to sep. dyes, salts, bacteria, and nanoparticles on the basis of size-selective transport through ordered pores. Here, we show that these materials function as adsorbents, not as size-sieving membranes. Binding isotherms of several dyes typical of the COF membrane literature to three COF powder samples illustrate that COFs are high-capacity adsorbents with affinities that span a range of 3 orders of magnitude, trends which map onto previously reported separation behavior. Computational results suggest that observed differences in adsorption can be correlated to variable entropic gains driving the adsorption process. Polycrystalline COF pellets show volume-dependent and flow-rate dependent “”rejection”” of dyes, consistent with an adsorption-based removal mechanism. Previous reports of thick, polycrystalline COF membranes used low flow rates and small dye volumes to probe rejection capabilities, where membrane and adsorbent behavior is not distinguishable. A mixed dye separation experiment in flow shows affinity-dependent performance. These results necessitate a careful reexamination of the COF membrane literature, as separations based on differential transport through 2D COF pores remain an important yet unrealized frontier. In addition to this study using 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde, there are many other studies that have used 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde(cas: 34374-88-4Application In Synthesis of 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde) was used in this study.

2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde(cas: 34374-88-4) is a member of phloroglucinol derivatives. Phloroglucinol derivatives are a major class of secondary metabolites. Phloroglucinol compounds can be classified into monomeric, dimeric, trimeric and higher phloroglucinols, and phlorotannins.Application In Synthesis of 2,4,6-Trihydroxybenzene-1,3,5-tricarbaldehyde

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Lemir, Ignacio D.; Oksdath-Mansilla, Gabriela; Castro-Godoy, Willber D.; Schmidt, Luciana C.; Arguello, Juan E. published an article in 2022. The article was titled 《Photochemical Csp2-H bond thiocyanation and selenocyanation of activated arenes, batch and continuous-flow approaches》, and you may find the article in Photochemical & Photobiological Sciences.Recommanded Product: Oxetan-3-ol The information in the text is summarized as follows:

An eco-friendly photochem. oxidative Csp2-H thiocyanation and selenocyanation of activated arenes were reported. The reaction proceeded under Violet LED irradiation in the presence of K2S2O8, which quickly oxidized KSCN and KSeCN, finally producing arylthio/selenocyanates. Using this benign, atom-economic protocol, the desired chalcogenide products were obtained regioselectively, with isolated yields that range from very good to excellent. Although, mechanistic study indicated that it is difficult to distinguish between a radical to a SEAr reaction mechanism between the photo-induced formed •SCN, for the former, or NCSSCN, for the latter, to the aromatic heterocycles. The inhibition experiment together with the observed reactivity and regioselectivity, would be in agreement with the latter. The synthetic methodol. designed could be successfully adapted to continuous-flow systems in a segmented-flow regime, employing the organic phase as the product reservoir. Using this setup, the advantage of the latter could be demonstrated by reducing the reaction time and improving the product yields. Similarly, the scaling up of the reaction to gram scale resulted in favorable outcomes by the flow setup, which installed the photo-flow chem. as a powerful tool to be included into routine reaction procedures, which had great relevance for the pharmaceutical industry.Oxetan-3-ol(cas: 7748-36-9Recommanded Product: 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.Recommanded Product: Oxetan-3-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

In 2022,Ongaro, Alberto; Violatto, Martina Bruna; Casarin, Elisabetta; Pellerani, Isabella; Marchini, Gloria; Ribaudo, Giovanni; Salmona, Mario; Carbone, Marco; Passoni, Alice; Gnodi, Elisa; Schiavon, Elisa; Mattarei, Andrea; Barisani, Donatella; Invernizzi, Pietro; Bigini, Paolo; Morpurgo, Margherita published an article in Nanomedicine (New York, NY, United States). The title of the article was 《The mode of dexamethasone decoration influences avidin-nucleic-acid-nano-assembly organ biodistribution and in vivo drug persistence》.Category: alcohols-buliding-blocks The author mentioned the following in the article:

Avidin-Nucleic-Acid-NanoASsemblies (ANANAS) possess natural tropism for the liver and, when loaded with dexamethasone, reduce clin. progression in an autoimmune hepatitis murine model. Here, we investigated the linker chem. (hydrazide-hydrazone, Hz-Hz, or carbamate hydrazide-hydrazone, Cb-Hz bond) and length (long, 5 kDa PEG, or short, 5-6 carbons) in biotin-dexamethasone conjugates used for nanoparticle decoration through in vitro and in vivo studies. All four newly synthesized conjugates released the drug at acidic pH only. In vitro, the Hz-Hz and the PEG derivatives were less stable than the Cb-Hz and the short chain ones, resp. Once injected in healthy mice, dexamethasone location in the PEGylated ANANAS outer layer favors liver penetration and resident macrophages uptake, while drug Hz-Hz, but not Cb-Hz, short spacing prolongs drug availability. In conclusion, the tight modulation of ANANAS decoration can significantly influence the host interaction, paving the way for the development of steroid nanoformulations suitable for different pharmacokinetic profiles. In the experiment, the researchers used many compounds, for example, 6-Aminohexan-1-ol(cas: 4048-33-3Category: alcohols-buliding-blocks)

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.Category: alcohols-buliding-blocks

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Name: 4-Aminobutan-1-olIn 2020 ,《Efficiency of Cytosolic Delivery with Poly(β-amino ester) Nanoparticles is Dependent on the Effective pKa of the Polymer》 appeared in ACS Biomaterials Science & Engineering. The author of the article were Routkevitch, Denis; Sudhakar, Deepti; Conge, Marranne; Varanasi, Mahita; Tzeng, Stephany Y.; Wilson, David R.; Green, Jordan J.. The article conveys some information:

The mechanism by which cationic polymers containing titratable amines mediate effective endosomal escape and cytosolic delivery of nucleic acids is not well understood despite the decades of research devoted to these materials. Here, we utilize multiple assays investigating the endosomal escape step associated with plasmid delivery by polyethylenimine (PEI) and poly(β-amino esters) (PBAEs) to improve the understanding of how these cationic polymers enable gene delivery. To probe the role of these materials in facilitating endosomal escape, we utilized vesicle membrane leakage and extracellular pH modulation assays to demonstrate the influence of polymer buffering capacity and effective pKa on the delivery of the plasmid DNA. Our results demonstrate that transfection with PBAEs is highly sensitive to the effective pKa of the overall polymer, which has broad implications for transfection. In more acidic environments, PBAE-mediated transfection was inhibited, while PEI was relatively unaffected. In neutral to basic environments, PBAEs have high buffering capacities that led to dramatically improved transfection efficacy. The cellular uptake of polymeric nanoparticles overall was unchanged as a function of pH, indicating that microenvironmental acidity was important for downstream intracellular delivery efficiency. Overall, this study motivates the use of polymer chem. characteristics, such as effective pKa values, to more efficiently evaluate new polymeric materials for enhanced intracellular delivery characteristics. The results came from multiple reactions, including the reaction of 4-Aminobutan-1-ol(cas: 13325-10-5Name: 4-Aminobutan-1-ol)

4-Aminobutan-1-ol(cas: 13325-10-5) is used in the synthesis of NSAIDs with anti-inflammatory properties. Also used in the synthesis of polyamine transport ligands with specificity against human cancers allowing easy access to specific cancer cells.Name: 4-Aminobutan-1-ol

Referemce:
Alcohol – Wikipedia,
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