Tag: 100-200

In 2022,Kardashliev, Tsvetan; Panke, Sven; Held, Martin published an article in Green Chemistry. The title of the article was 《Efficient synthesis of 2,6-bis(hydroxymethyl)pyridine using whole-cell biocatalysis》.Application In Synthesis of 2,6-Pyridinedimethanol The author mentioned the following in the article:

We demonstrate a novel one-pot biocatalytic process for the preparation of a versatile chem. intermediate, 2,6-bis(hydroxymethyl)pyridine, from naturally-occurring 2,6-lutidine using recombinant microbial whole cells as a catalysts. After scale up, the bioconversion enabled titers exceeding 12 g L-1 with a space-time yield of 0.8 g L-1 h-1. This biocatalytic route offers a simpler and more sustainable alternative to multistep organic synthesis protocols.2,6-Pyridinedimethanol(cas: 1195-59-1Application In Synthesis of 2,6-Pyridinedimethanol) was used in this study.

2,6-Pyridinedimethanol(cas: 1195-59-1) belongs to pyridine. Pyridine’s structure is isoelectronic with that of benzene, but its properties are quite different. Pyridine is completely miscible with water, whereas benzene is only slightly soluble. Like all hydrocarbons, benzene is neutral (in the acid–base sense), but because of its nitrogen atom, pyridine is a weak base.Application In Synthesis of 2,6-Pyridinedimethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cruz, Tiago F. C.; Veiros, Luis F.; Gomes, Pedro T. published an article in 2022. The article was titled 《Hydrosilylation of Aldehydes and Ketones Catalyzed by a 2-Iminopyrrolyl Alkyl-Manganese(II) Complex》, and you may find the article in Inorganic Chemistry.Formula: C6H7NO The information in the text is summarized as follows:

A well-defined and very active single-component Mn(II) catalyst system for the hydrosilylation of aldehydes and ketones is presented. First, the reaction of 5-(2,4,6-iPr3C6H2)-2-[N-(2,6-iPr2C6H3)formimino]pyrrolyl K (KL) and [MnCl2(Py)2] afforded the binuclear 2-iminopyrrolyl Mn(II) pyridine chloride complex [Mn2{κ2N,N’-5-(2,4,6-iPr3C6H2)-NC4H2-2-C(H):N(2,6-iPr2C6H3)}2(Py)2(μ-Cl)2] 1. Subsequently, the alkylation reaction of complex 1 with LiCH2SiMe3 afforded the resp. (trimethylsilyl)methyl-Mn(II) complex [Mn{κ2N,N’-5-(2,4,6-iPr3C6H2)-NC4H2-2-C(H):N(2,6-iPr2C6H3)}(Py)CH2SiMe3] (2) in a good yield. Complexes 1 and 2 were characterized by elemental anal., 1H NMR spectroscopy, Evans’ method, FTIR spectroscopy, and single-crystal x-ray diffraction. While the crystal structure of complex 1 was identified as a binuclear entity, in which the Mn(II) centers present pentacoordinate coordination spheres, that of complex 2 corresponds to a monomer with a distorted tetrahedral coordination geometry. Complex 2 proved to be a very active precatalyst for the atom-economic hydrosilylation of several aldehydes and ketones under very mild conditions, with a maximum turnover frequency of 95 min-1, via a silyl-Mn(II) mechanistic route, as asserted by a combination of exptl. and theor. efforts, the resp. silanes were cleanly converted to the resp. alc. products in high yields.3-Pyridinemethanol(cas: 100-55-0Formula: C6H7NO) was used in this study.

3-Pyridinemethanol(cas: 100-55-0) belongs to pyridine. Pyridine is widely used in the precursor to agrochemicals and pharmaceuticals. Also, it is used as an important reagent and organic solvent.Formula: C6H7NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xu, Peng; Sattasathuchana, Tosaporn; Guidez, Emilie; Webb, Simon P.; Montgomery, Kilinoelani; Yasini, Hussna; Pedreira, Iara F. M.; Gordon, Mark S. published an article in 2021. The article was titled 《Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithm》, and you may find the article in Journal of Chemical Physics.SDS of cas: 4048-33-3 The information in the text is summarized as follows:

A new method called QM-VM2 is presented that efficiently combines statistical mechanics with quantum mech. (QM) energy potentials in order to calculate noncovalent binding free energies of host-guest systems. QM-VM2 efficiently couples the use of semi-empirical QM (SEQM) energies and geometry optimizations with an underlying mol. mechanics (MM) based conformational search, to find low SEQM energy min., and allows for processing of these min. at higher levels of ab initio QM theory. A progressive geometry optimization scheme is introduced as a means to increase conformational sampling efficiency. The newly implemented QM-VM2 is used to compute the binding free energies of the host mol. cucurbit[7]uril and a set of 15 guest mols. The results are presented along with comparisons to exptl. determined binding affinities. For the full set of 15 host-guest complexes, which have a range of formal charges from +1 to +3, SEQM-VM2 based binding free energies show poor correlation with experiment, whereas for the ten +1 complexes only, a significant correlation (R2 = 0.8) is achieved. SEQM-VM2 generation of conformers followed by single-point ab initio QM calculations at the dispersion corrected RHF-D3(BJ) and TPSS-D3(BJ) levels of theory, as post-processing corrections, yields a reasonable correlation with experiment for the full set of host-guest complexes (R2 = 0.6 and R2 = 0.7, resp.) and an excellent correlation for the +1 formal charge set (R2 = 1.0 and R2 = 0.9, resp.), as long as a sufficiently large basis set (triple-zeta quality) is employed. The importance of the inclusion of configurational entropy, even at the MM level, for the achievement of good correlation with experiment was demonstrated by comparing the calculated ΔE values with experiment and finding a considerably poorer correlation with experiment than for the calculated free energy ΔE – TΔS. For the complete set of host-guest systems with the range of formal charges, it was observed that the deviation of the predicted binding free energy from experiment correlates somewhat with the net charge of the systems. This observation leads to a simple empirical interpolation scheme to improve the linear regression of the full set. (c) 2021 American Institute of Physics. The results came from multiple reactions, including the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3SDS of cas: 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.SDS of cas: 4048-33-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Hurtado, Carolina Ramos; Hurtado, Gabriela Ramos; Lupeti de Cena, Gabrielle; Queiroz, Rafaela Campos; Silva, Alexandre Vieira; Diniz, Milton Faria; dos Santos, Veronica Ribeiro; Trava-Airoldi, Vladimir; da Silva Baptista, Mauricio; Tsolekile, Ncediwe; Oluwafemi, Oluwatobi Samuel; Conceicao, Katia; Tada, Dayane Batista published their research in Nanomaterials in 2021. The article was titled 《Diamond nanoparticles-porphyrin mTHPP conjugate as photosensitizing platform: cytotoxicity and antibacterial activity》.Computed Properties of C7H6O2 The article contains the following contents:

Conjugation of photosensitizers (PS) with nanoparticles has been largely used as a strategy to stabilize PS in the biol. medium resulting in photosensitizing nanoparticles of enhanced photoactivity. Herein, Meso-5, 10, 15, 20-tetrakis (3-hydroxyphenyl) phorphyryn (mTHPP) was conjugated with diamond nanoparticles (ND) by covalent bond. Nanoconjugate ND-mTHPP showed suitable stability in aqueous suspension with 58 nm of hydrodynamic diameter and Zeta potential of -23 mV. The antibacterial activity of ND-mTHPP was evaluated against Escherichia coli for different incubation times (0-24 h). The optimal activity was observed after 2 h of incubation and irradiation (660 nm; 51 J/cm2) performed right after the addition of ND-mTHPP (100 μg/mL) to the bacterial suspension. The inhibitory activity was 56% whereas ampicillin at the same conditions provided only 14% of bacterial growth inhibition. SEM images showed agglomerate of ND-mTHPP adsorbed on the bacterial cell wall, suggesting that the antimicrobial activity of ND-mTHPP was afforded by inducing membrane damage. Cytotoxicity against murine embryonic fibroblast cells (MEF) was also evaluated and ND-mTHPP was shown to be noncytotoxic since viability of cells cultured for 24 h in the presence of the nanoconjugate (100 μg/mL) was 78%. Considering the enhanced antibacterial activity and the absence of cytotoxic effect, it is possible to consider the ND-mTHPP nanoconjugate as promising platform for application in antimicrobial photodynamic therapy (aPDT). In the experiment, the researchers used 3-Hydroxybenzaldehyde(cas: 100-83-4Computed Properties 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.Computed Properties of C7H6O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kim, Hyunhong; Kim, Hyeonjung; Kim, Su Hwan; Park, Jong Mok; Jung, Yu Jin; Kwak, Sang Kyu; Park, Jongnam published their research in Chemistry of Materials in 2021. The article was titled 《Molecularly Smooth and Conformal Nanocoating by Amine-Mediated Redox Modulation of Catechol》.Application of 4048-33-3 The article contains the following contents:

Conformal nanocoatings to nanostructured materials are key to the utilization of unique nanomaterial properties. Although catechol-based nanocoatings on flat substrates have been extensively reported, research on conformal coatings to nanomaterials with high curvature has rarely been conducted because cohesion is caused by the catechol oxidation In the literature, amine-mediated redox control of a catechol system by separating catechol and amine is employed and an optimized nanocoating can be achieved by suppressed cohesion and enhanced adhesion. The amine-assisted catechol nanocoating exhibits roughness of <0.358 nm and thickness of 1.69 nm on flat substrates; the hydrodynamic diameter of coated iron oxide nanoparticles is less than 20 nm. D. functional theory calculations were performed to elucidate the coating mechanism, and three key roles of amine in the catechol-based nanocoating were discovered: adhesion promotion, suppression of polymerization, and addnl. stabilization through an in situ generated, newly designed catechol-amine adduct. The strategy provides insights into catechol-based nanocoating, and it has broad applications in fields that require nanoscale coating layers. The results came from multiple reactions, including the reaction of 6-Aminohexan-1-ol(cas: 4048-33-3Application of 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.Application of 4048-33-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

October, Jacquin; Mapolie, Selwyn F. published their research in Tetrahedron Letters in 2021. The article was titled 《Sequential hydroaminomethylation/Pd-catalyzed hydrogenolysis as an atom efficient route to valuable primary and secondary amines》.Application of 4048-33-3 The article contains the following contents:

The facile synthesis of valuable primary and secondary amines RRNH (R = nonyl, 2-cyclohexylethyl, 4-(4-methoxyphenyl)butyl, etc.) and RNH2 is reported using a sequential procedure of hydroaminomethylation and Pd-catalyzed hydrogenolysis. The hydroaminomethylation reaction was catalyzed by a cationic Rh(I) iminopyridyl complex and the N-alkylated benzylamines RRNBn and RNHBn were produced with high chemoselectivity, albeit as mixtures of linear and branched products. Performing the hydrogenolysis reaction using 10% Pd/C, provided access to valuable primary and secondary amines which have applications in the surfactant, pharmaceutical and polymer industries. In addition to this study using 6-Aminohexan-1-ol, there are many other studies that have used 6-Aminohexan-1-ol(cas: 4048-33-3Application of 4048-33-3) was used in this study.

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.Application of 4048-33-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Multinuclear nickel(II) complexes with chiral schiff base ligand》 was written by Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong. Electric Literature of C9H11NO And the article was included in Inorganica Chimica Acta in 2020. The article conveys some information:

Herein we report three chiral, hierarchal mono-, tetra-, and hexa-nuclear nickel complexes that were formed via controlled self-aggregation based on ancillary ligands H3L1 (2,6-bis[(2,3-dihydro-1H-2-indenol)imine]-4-bromophenol) and H3L2 (2,6-bis[(2,3-dihydro-1H-2-indenol)imine]-4-tert-butylphenol). Stoichiometric control of the metal precursor and ligand strongly influenced the nuclearity of the complexes. Mononuclear [Ni(H2L1)2Na2]·2ClO4(1) complex was obtained in the stoichiometric reaction of ligand H3L1 with nickel perchlorate in the presence of sodium acetate. Tetranuclear [Ni4(L1)2(μ3-OMe)2(μ1,3-OAc)2]·2Na(2) and hexanuclear [Ni6(L2)3(μ6-CO3)(MeOH)5(H2O)]·ClO4 (3) were selectively assembled by the reaction of nickel perchlorate and the ligand in a molar ratio of 1:2 without or with carbonate ions, resp. The solid-state structures of the complexes were confirmed by single-crystal X-ray crystallog. The photophys. properties of the complexes were explored using UV-visible spectroscopy. In the experimental materials used by the author, we found (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7Electric Literature of C9H11NO)

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) 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.Electric Literature of C9H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Cytotoxicity, fluorescence tagging and gene-expression study of CuInS/ZnS QDS – meso (hydroxyphenyl) porphyrin conjugate against human monocytic leukemia cells》 was written by Tsolekile, Ncediwe; Nahle, Sara; Zikalala, Nkosingiphile; Parani, Sundararajan; Sakho, El Hadji Mamour; Joubert, Olivier; Matoetoe, Mangaka C.; Songca, Sandile P.; Oluwafemi, Oluwatobi S.. Name: 3-Hydroxybenzaldehyde And the article was included in Scientific Reports in 2020. The article conveys some information:

The toxicity of heavy metals present in binary semiconductor nanoparticles also known as quantum dots (QDs) has hindered their wide applications hence the advent of non-toxic ternary quantum dots. These new group of quantum dots have been shown to possess some therapeutic action against cancer cell lines but not significant enough to be referred to as an ideal therapeutic agent. In this report, we address this problem by conjugating red emitting CuInS/ZnS QDs to a 5,10,15,20-tetrakis(3-hydroxyphenyl)porphyrin -photosensitizer for improved bioactivities. The glutathione capped CuInS/ZnS QDs were synthesized in an aqueous medium using a kitchen pressure cooker at different Cu: In ratios (1:4 and 1:8) and at varied temperatures (95°C, 190°C and 235°C). Optical properties show that the as-synthesized CuInS/ZnS QDs become red-shifted compared to the core (CuInS) after passivation with emission in the red region while the cytotoxicity study revealed excellent cell viability against normal kidney fibroblasts (BHK21). The highly fluorescent, water-soluble QDs were conjugated to 5,10,15,20-tetrakis(3-hydroxyphenyl)porphyrin (mTHPP) via esterification reactions at room temperature The resultant water-soluble conjugate was then used for the cytotoxicity, fluorescent imaging and gene expression study against human monocytic leukemia cells (THP-1). Our result showed that the conjugate possessed high cytotoxicity against THP-1 cells with enhanced localized cell uptake compared to the bare QDs. In addition, the gene expression study revealed that the conjugate induced inflammation compared to the QDs as NFKB gene was over-expressed upon cell inflammation while the singlet oxygen (1O2) study showed the conjugate possessed large amount of 1O2, three times than the bare porphyrin. Thus, the as-synthesized conjugate looks promising as a therapeutic agent for cancer therapy. The results came from multiple reactions, including the reaction of 3-Hydroxybenzaldehyde(cas: 100-83-4Name: 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.Name: 3-Hydroxybenzaldehyde

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Synthesis, α-glycosidase inhibitory potential and molecular docking study of benzimidazole derivatives》 was published in Bioorganic Chemistry in 2020. These research results belong to Taha, Muhammad; Rahim, Fazal; Zaman, Khalid; Selvaraj, Manikandan; Uddin, Nizam; Farooq, Rai Khalid; Nawaz, Muhammad; Sajid, Muhammad; Nawaz, Faisal; Ibrahim, Mohamad; Khan, Khalid Mohammed. Reference of 3,5-Dihydroxybenzaldehyde The article mentions the following:

A series of twenty-six analogs of benzimidazole based oxadiazole I [R = 4-HOC6H4, 2-thienyl, 3-pyridyl, etc.] was synthesized and evaluated against alpha-glycosidase enzyme. Compounds I [R = 2,3-(OH)2C6H3, 2,5-(OH)2C6H3, 3,4-(OH)2C6H3, 4-FC6H4] with IC50 values 4.6 ± 0.1, 9.50 ± 0.3, 2.6 ± 0.1 and 9.30 ± 0.4μM resp. showed excellent inhibitory potential than reference drug acarbose (IC50 = 38.45 ± 0.80μM). Some of the analogs like I [R = 3-MeC6H4, 4-MeOC6H4, 3-MeOC6H4, 3,4-(OMe)2C6H4] with Me and methoxy substituent on Ph ring showed hydrophobic interaction and were found with no inhibitory potential. The binding interactions between synthesized analogs I and ligands protein were confirmed through mol. docking study. These derivatives were synthesized by simple mode of synthesis like heterocyclic ring formation. In the experimental materials used by the author, we found 3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Reference of 3,5-Dihydroxybenzaldehyde)

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is used as a building block in the synthesis of more complex structures. It is also used in the synthesis of terbutaline, which is an important bronchodilator.Reference of 3,5-Dihydroxybenzaldehyde

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Utiziling a copper-free Sonogashira reaction in the synthesis of the leukotriene a4 hydrolase modulator batatasin IV》 was published in Tetrahedron Letters in 2020. These research results belong to Petruncio, Greg; Girgis, Michael; Moummi, Sanae; Jayatilake, Meth; Lee, Kyung Hyeon; Paige, Mikell. Electric Literature of C7H6O3 The article mentions the following:

Batatasin IV is a dihydrostilbenoid isolated from Chinese yams which was shown to have inhibitory activities against plant growth. Later studies showed that this compound may exhibit anti-inflammatory properties by inhibiting the epoxide hydrolase activity of the leukotriene A4 hydrolase enzyme. To access the dihydrostilbenoid skeleton, a copper-free SPhos-mediated Sonogashira reaction was conceived and the substrate scope was explored. Our results indicate that the reaction can tolerate the presence of free alcs., aldehydes, nitro groups, and anilinyl groups. However, a substituent with an acidic phenol or carboxylic acid group gave significantly lower yields. Next, a total synthesis of batatasin IV was accomplished in 16% overall yield incorporating the reported copper-free Sonogashira reaction. Finally, we show that batatasin IV inhibits the hydrolysis of alanine p-nitroanilide by leukotriene A4 hydrolase with an IC50 of 91.4μM.3,5-Dihydroxybenzaldehyde(cas: 26153-38-8Electric Literature of C7H6O3) was used in this study.

3,5-Dihydroxybenzaldehyde(cas: 26153-38-8) is used as a building block in the synthesis of more complex structures. It is also used in the synthesis of terbutaline, which is an important bronchodilator.Electric Literature of C7H6O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts