Month: October 2022

Zhang, Jin; Guo, Cheng; Cai, Wensheng; Shao, Xueguang published an article in 2021. The article was titled 《Direct non-trilinear decomposition for analyzing high-dimensional data with imperfect trilinearity》, and you may find the article in Chemometrics and Intelligent Laboratory Systems.Recommanded Product: 3-Hydroxybenzaldehyde The information in the text is summarized as follows:

Trilinear decomposition has been employed in the anal. of three-way anal. data. However, it is difficult to keep a perfect trilinear structure for the data in real applications. A direct non-trilinear decomposition (DNTD) algorithm is proposed in this study for analyzing the three-way data with imperfect trilinearity caused by the shift or the variation of the chromatog. or spectral profiles in repeated measurements. In the method, two alternating steps are contained to resolve the constant and shifting profiles for each component, resp. The first step is based on a pseudo-trilinear decomposition, and the second step involves a slice-based matrix decomposition Furthermore, for reducing the ambiguity caused by the relaxation of trilinear constraint, an average profile regularization is introduced. Three datasets were used to validate the proposed method, including a simulated spectral dataset, a gas chromatog.-mass spectrometry (GC-MS) dataset and a flow injection anal. (FIA) dataset. Furthermore, a comparison with parallel factor anal. (PARAFAC), alternating trilinear decomposition (ATLD), PARAFAC2 and multivariate curve resolution-alternating least squares (MCR-ALS) was performed. The profiles with variant shifts were correctly extracted and a further understanding of the FIA dataset was obtained. In the experimental materials used by the author, we found 3-Hydroxybenzaldehyde(cas: 100-83-4Recommanded Product: 3-Hydroxybenzaldehyde)

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.Recommanded Product: 3-Hydroxybenzaldehyde

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Alcohol – Wikipedia,
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Mykura, Rory C.; Songara, Pradip; Luc, Eugenia; Rogers, Jack; Stammers, Ellie; Aggarwal, Varinder K. published an article in 2021. The article was titled 《Studies on the Lithiation, Borylation, and 1,2-Metalate Rearrangement of O-Cycloalkyl 2,4,6-Triisopropylbenzoates》, and you may find the article in Angewandte Chemie, International Edition.Electric Literature of C12H17BO2 The information in the text is summarized as follows:

A broad range of acyclic primary and secondary 2,4,6-triisopropylbenzoate (TIB) esters have been used in lithiation-borylation reactions, but cyclic TIB esters have not. Authors have studied the use of cyclic TIB esters in lithiation-borylation reactions and looked at the effect of ring size (3- → 6-membered rings) on the three key steps of the lithiation-borylation protocol: deprotonation, borylation and 1,2-metalate rearrangement. Although all rings sizes could be deprotonated, the cyclohexyl case was impractically slow, and the cyclopentyl example underwent α-elimination faster than deprotonation at -78° and so could not be used. Both cyclobutyl and cyclopropyl cases underwent rapid borylation, but only the cyclobutyl substrate underwent 1,2-metalate rearrangement. Thus, the cyclobutyl TIB ester occupies a “”Goldilocks zone,”” being small enough for deprotonation and large enough to enable 1,2-migration. The generality of the reaction was explored with a broad range of boronic esters.4,4,5,5-Tetramethyl-2-phenyl-1,3,2-dioxaborolane(cas: 24388-23-6Electric Literature of C12H17BO2) was used in this study.

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.Electric Literature of C12H17BO2

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Shin, Kyong-Oh; Kim, Sungeun; Park, Byeong Deog; Uchida, Yoshikazu; Park, Kyungho published an article in 2021. The article was titled 《N-Palmitoyl Serinol Stimulates Ceramide Production through a CB1-Dependent Mechanism in In Vitro Model of Skin Inflammation》, and you may find the article in International Journal of Molecular Sciences.Related Products of 534-03-2 The information in the text is summarized as follows:

Ceramides, a class of sphingolipids containing a backbone of sphingoid base, are the most important and effective structural component for the formation of the epidermal permeability barrier. While ceramides comprise approx. 50% of the epidermal lipid content by mass, the content is substantially decreased in certain inflammatory skin diseases, such as atopic dermatitis (AD), causing improper barrier function. It is widely accepted that the endocannabinoid system (ECS) can modulate a number of biol. responses in the central nerve system, prior studies revealed that activation of endocannabinoid receptor CB1, a key component of ECS, triggers the generation of ceramides that mediate neuronal cell fate. However, as the impact of ECS on the production of epidermal ceramide has not been studied, we here investigated whether the ECS stimulates the generation of epidermal ceramides in an IL-4-treated in vitro model of skin inflammation using N-palmitoyl serinol (PS), an analog of the endocannabinoid N-palmitoyl ethanolamine. Accordingly, an IL-4-mediated decrease in cellular ceramide levels was significantly stimulated in human epidermal keratinocytes (KC) following PS treatment through both de novo ceramide synthesis- and sphingomyelin hydrolysis-pathways. Importantly, PS selectively increases ceramides with long-chain fatty acids (FAs) (C22-C24), which mainly account for the formation of the epidermal barrier, through activation of ceramide synthase (CerS) 2 and Cer3 in IL-4-mediated inflamed KC. Furthermore, blockade of cannabinoid receptor CB1 activation by AM-251 failed to stimulate the production of total ceramide as well as long-chain ceramides in response to PS. These studies demonstrate that an analog of endocannabinoid, PS, stimulates the generation of specific ceramide species as well as the total amount of ceramides via the endocannabinoid receptor CB1-dependent mechanism, thereby resulting in the enhancement of epidermal permeability barrier function. The experimental part of the paper was very detailed, including the reaction process of 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. 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.Related Products of 534-03-2

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In 2022,Banerjee, Arghya; Sarkar, Satavisha; Shah, Jagrut A.; Frederiks, Nicoline C.; Bazan-Bergamino, Emmanuel A.; Johnson, Christopher J.; Ngai, Ming-Yu published an article in Angewandte Chemie, International Edition. The title of the article was 《Excited-State Copper Catalysis for the Synthesis of Heterocycles》.Product Details of 7748-36-9 The author mentioned the following in the article:

Herein, the discovery and development of visible-light-induced, synergistic excited-state copper catalysis using a combination of Cu(IPr)I as a catalyst and rac-BINAP as a ligand, which produces more than 10 distinct classes of heterocycles was reported. The reaction tolerated a broad array of functional groups and complex mol. scaffolds, including derivatives of peptides, natural products and marketed drugs. Preliminary mechanistic investigation suggested in situ generations of [Cu(BINAP)2]+ and [Cu(IPr)2]+ catalysts that work cooperatively under visible-light irradiation to facilitate catalytic carbo-aroylation of unactivated alkenes, affording a wide range of useful heterocycles. In the experiment, the researchers used Oxetan-3-ol(cas: 7748-36-9Product Details of 7748-36-9)

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.Product Details of 7748-36-9

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Alcohol – Wikipedia,
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In 2022,Mukherjee, Anurag; Barman, Shubhankar; Ghosh, Anupam; Datta, Ayan; Datta, Anuja; Ghosh, Suhrit published an article in Angewandte Chemie, International Edition. The title of the article was 《A Hierarchical (Macro)molecular Assembly Assisted by Donor-Acceptor Charge-Transfer Interactions Exhibiting Room-Temperature Ferroelectricity》.Related Products of 534-03-2 The author mentioned the following in the article:

This communication reveals co-assembly of an electron-deficient naphthalene-diimide (NDI)-appended polyurethane (P1) and electron-rich pyrene (Py), forming an organogel with prominent room-temperature ferroelectricity. In a non-polar medium, intra-chain hydrogen-bonding among the urethane groups of P1 produces a folded structure with an array of the NDIs in the periphery, which intercalate Py by charge-transfer (CT)-interaction. Such CT-complexation enables slow crystallization of the peripheral hydrocarbons, causing gelation with nanotubular morphol., in which the wall consists of the alternating NDI-Py stack. Such D-A assembly exhibits ferroelectricity (saturation polarization Ps≈0.8μC cm-2 and coercive field Ec≈8 kV cm-1 at 500 V and 10 Hz frequency) with Curie temperature (Tc) of ≈350 K, which can be related to the disassembly of the CT-complex. In the absence of Py, P1 forms spherical aggregates, showing dielec. behavior. In the experiment, the researchers used many compounds, for example, 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. Milder oxidation, using reagents such as NaOCl, can remove four hydrogen atoms from primary amines of the type RCH2NH2 to form nitriles (R―C≡N), and oxidation with reagents such as MnO2 can remove two hydrogen atoms from secondary amines (R2CH―NHR′) to form imines (R2C=NR′). Tertiary amines can be oxidized to enamines (R2C=CHNR2) by a variety of reagents.Related Products of 534-03-2

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Alcohol – Wikipedia,
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Application In Synthesis of Azetidin-3-ol hydrochlorideIn 2009 ,《Identification and Suppression of a Dimer Impurity in the Development of Delafloxacin》 appeared in Organic Process Research & Development. The author of the article were Hanselmann, Roger; Johnson, Graham; Reeve, Maxwell M.; Huang, Shu-Ting. The article conveys some information:

Delafloxacin is a 6-fluoroquinolone antibiotic which is under development at Rib-X Pharmaceuticals. During initial scale-up runs to prepare delafloxacin, up to 0.43% of a new impurity arose in the penultimate chlorination step. This was identified as a dimeric adduct I of delafloxacin. Subsequent application of design of experiments (DoE) led to the identification of the factors responsible for this impurity. Implementation of the knowledge gained from the DoE reproducibly enabled the suppression of this impurity to acceptable levels. In addition to this study using Azetidin-3-ol hydrochloride, there are many other studies that have used Azetidin-3-ol hydrochloride(cas: 18621-18-6Application In Synthesis of Azetidin-3-ol hydrochloride) was used in this study.

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Application In Synthesis of Azetidin-3-ol hydrochloride Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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Alcohol – Wikipedia,
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Quality Control of Bis[(pinacolato)boryl]methaneIn 2020 ,《Biosynthesis of Pseudomonas-Derived Butenolides》 appeared in Angewandte Chemie, International Edition. The author of the article were Klapper, Martin; Schlabach, Kevin; Paschold, Andre; Zhang, Shuaibing; Chowdhury, Somak; Menzel, Klaus-Dieter; Rosenbaum, Miriam A.; Stallforth, Pierre. The article conveys some information:

Butenolides are well-known signaling mols. in Gram-pos. bacteria. Here, we describe a novel class of butenolides isolated from a Gram-neg. Pseudomonas strain, the styrolides. Structure elucidation was aided by the total synthesis of styrolide A. Transposon mutagenesis enabled us to identify the styrolide biosynthetic gene cluster, and by using a homol. search, we discovered the related and previously unknown acaterin biosynthetic gene cluster in another Pseudomonas species. Mutagenesis, heterologous expression, and identification of key shunt and intermediate products were crucial to propose a biosynthetic pathway for both Pseudomonas-derived butenolides. The Whole Genome Shotgun project for P. fluorescens HKI0874 has been deposited at DDBJ/ENA/GenBank under the accession VCNJ00000000. The experimental process involved the reaction of 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. Organoboron compounds have been a cornerstone of synthetic transformations for decades. Areas such as boron-containing catalysts, metalate chemistry, photoredox methods, and boryl anions have brought significant new developments in understanding and provided new reactivity upon.Quality Control of Bis[(pinacolato)boryl]methane

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Quality Control of 2-Hydroxyphenylboronic acidIn 2021 ,《Design and synthesis of 1H-pyrazolo[3,4-b]pyridines targeting mitogen-activated protein kinase kinase 4 (MKK4) – A promising target for liver regeneration》 appeared in European Journal of Medicinal Chemistry. The author of the article were Pfaffenrot, Bent; Kloevekorn, Philip; Juchum, Michael; Selig, Roland; Albrecht, Wolfgang; Zender, Lars; Laufer, Stefan A.. The article conveys some information:

Currently, the therapeutic options for treatment of liver failure are very limited. As mitogen-activated protein kinase kinase 4 (MKK4) has recently been identified by in vivo RNAi experiments to be a major regulator in hepatocyte regeneration, authors pursued the development of a small mol. targeting this protein kinase. Starting from the approved BRAFV600E inhibitor vemurafenib, that showed a high off-target affinity to MKK4 in an initial screening, authors followed a scaffold-hopping approach, changing the core heterocycle from 1H-pyrrolo[2,3-b]pyridine to 1H-pyrazolo[2,3-b]pyridine I. Affinity to MKK4 could be conserved while the selectivity against off-target protein kinases was slightly improved. Further modifications led to II and III showing high affinity to MKK4 in the low nanomolar range and excellent selectivity profile from mandatory multiparameter-optimization for the essential anti-targets (MKK7, JNK1) and off-targets (BRAF, MAP4K5, ZAK) in the MKK4 pathway. Herein authors report the first selective MKK4 inhibitors in this class. In the part of experimental materials, we found many familiar compounds, such as 2-Hydroxyphenylboronic acid(cas: 89466-08-0Quality Control of 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. Quality Control of 2-Hydroxyphenylboronic acid

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Alcohol – Wikipedia,
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Category: alcohols-buliding-blocksIn 2019 ,《Iron-catalyzed regioselective cyclotrimerization of alkynes to benzenes》 appeared in Journal of Organometallic Chemistry. The author of the article were Gawali, Suhas Shahaji; Gunanathan, Chidambaram. The article conveys some information:

We report the synthesis and characterization of simple di(aminomethyl)pyridine ligated iron-pincer complexes, which catalyzed the regioselective [2+2+2]-cyclotrimerization of terminal aryl and alkyl alkynes to provide the 1,2,4-trisubstituted benzene mols. Interestingly, internal alkynes also exhibited similar cyclization and resulted in hexa-substituted benzene compounds Increased steric bulk on pincer ligands diminished the selectivity for cycloaddition Cyclotrimerization reactions proceeded at room temperature upon activation of catalyst by a Grignard reagent. EPR studies indicated thermally induced spin crossover effect in catalyst. In addition to this study using 2,6-Pyridinedimethanol, there are many other studies that have used 2,6-Pyridinedimethanol(cas: 1195-59-1Category: alcohols-buliding-blocks) was used in this study.

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Category: alcohols-buliding-blocks

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Safety of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrateIn 2019 ,《The Effect of Temperature on Different Aqueous Two-Phase Diagrams of Polyethylene Glycol (PEG 6000, PEG 8000, and PEG 10000) + Potassium Sodium Tartrate + Water》 was published in Journal of Chemical & Engineering Data. The article was written by Herbst, Jacqueline; Pott, Robert W. M.. The article contains the following contents:

Phase diagrams and models of PEG 6000, PEG 8000, and PEG 10000 in water and potassium sodium tartrate systems were constructed at temperatures 10, 25, and 45 °C. These phase diagrams consist of binodal curves and tie-lines, modeled using the Merchuck equation, and validated using a linearized form of the Othmer-Tobias equation. It was observed that higher system temperatures produced larger binodal envelopes and better phase separation It was also observed that smaller PEG mol. weights produced smaller binodal envelopes. In the experimental materials used by the author, we found Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5Safety of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate)

Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate(cas: 6381-59-5) is a ferroelectric crystal with a high piezoelectric effect and electromechanical coupling coefficient. Safety of Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate As a Biuret reagent, it is used to measure the protein concentration. Furthermore, it is used as laxative and is also used in food industry.

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Alcohol – Wikipedia,
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