Tag: 200-300

Discovery of 3-aryl substituted benzoxaboroles as broad-spectrum inhibitors of serine- and metallo-β-lactamases was written by Yan, Yu-Hang;Li, Zhao-Feng;Ning, Xiang-Li;Deng, Ji;Yu, Jun-Lin;Luo, Yubin;Wang, Zhenling;Li, Guo;Li, Guo-Bo;Xiao, You-Cai. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2021.Application In Synthesis of 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde The following contents are mentioned in the article:

The production of β-lactamases represents the main cause of resistance to clin. important β-lactam antibiotics. Boron containing compounds have been demonstrated as promising broad-spectrum β-lactamase inhibitors to combat β-lactam resistance. Here we report a series of 3-aryl substituted benzoxaborole derivatives, which manifested broad-spectrum inhibition to representative serine-β-lactamases (SBLs) and metallo-β-lactamases (MBLs). The most potent inhibitor 9f displayed an IC50 value of 86 nM to KPC-2 SBL and micromolar inhibitory activity towards other tested enzymes. Cell-based assays further revealed that 9f was able to significantly reduce the MICs of meropenem in clin. isolated KPC-2-producing bacterial strains and it showed no apparent toxicity in HEK293T cells. This study involved multiple reactions and reactants, such as 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9Application In Synthesis of 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde).

5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.Application In Synthesis of 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

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Synthesis and characterization of novel 4-benzyloxyphenyl 4-[4-(n-dodecyloxy) benzoyloxy]benzoate liquid crystal was written by Balkanli, Emine;Cakar, Fatih;Ocak, Hale;Cankurtaran, Ozlem;Eran, Belkiz Bilgin. And the article was included in Turkish Journal of Chemistry in 2021.Category: ethers-buliding-blocks The following contents are mentioned in the article:

Liquid crystal (LC) compound 4-benzyloxyphenyl 4-[4-(n-dodecyloxy)benzoyloxy]benzoate (BDBB) was prepared and characterized. Inverse gas chromatog. (IGC) was to be a beneficial anal. method for the research of thermodn. characteristics of the new LC. Acetate and alc. isomers were used to examine LC selectivity via the IGC technique at temperatures between 333.2 K and 483.2 K. The retention diagrams of n-heptane, n-octane, n-nonane, n-decane, undecane, dodecane, tridecane, Bu acetate, iso-Bu acetate, Et acetate, n-propylbenzene, isopropylbenzene, ethylbenzene, chlorobenzene and toluene on BDBB were plotted with temperatures of 483.2-493.2 K. Flory-Huggins interaction parameter and weight fraction activity coefficient at infinite dilution were researched for BDBB. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Category: ethers-buliding-blocks).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Category: ethers-buliding-blocks

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Ether – Wikipedia,
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Synthesis and characterization of novel 4-benzyloxyphenyl 4-[4-(n-dodecyloxy) benzoyloxy]benzoate liquid crystal was written by Balkanli, Emine;Cakar, Fatih;Ocak, Hale;Cankurtaran, Ozlem;Eran, Belkiz Bilgin. And the article was included in Turkish Journal of Chemistry in 2021.Computed Properties of C13H12O2 The following contents are mentioned in the article:

Liquid crystal (LC) compound 4-benzyloxyphenyl 4-[4-(n-dodecyloxy)benzoyloxy]benzoate (BDBB) was prepared and characterized. Inverse gas chromatog. (IGC) was to be a beneficial anal. method for the research of thermodn. characteristics of the new LC. Acetate and alc. isomers were used to examine LC selectivity via the IGC technique at temperatures between 333.2 K and 483.2 K. The retention diagrams of n-heptane, n-octane, n-nonane, n-decane, undecane, dodecane, tridecane, Bu acetate, iso-Bu acetate, Et acetate, n-propylbenzene, isopropylbenzene, ethylbenzene, chlorobenzene and toluene on BDBB were plotted with temperatures of 483.2-493.2 K. Flory-Huggins interaction parameter and weight fraction activity coefficient at infinite dilution were researched for BDBB. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Computed Properties of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esterification is the general name for a chemical reaction in which two reactants (typically an alcohol and an acid) form an ester as the reaction product. Esters are common in organic chemistry and biological materials.Computed Properties of C13H12O2

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Synthesis, biophysical characterization, and anti-HIV-1 fusion activity of DNA helix-based inhibitors with a p-benzyloxyphenyl substituent at the 5′-nucleobase site was written by Tang, Yongjia;Han, Zeye;Guo, Jiamei;Tian, Yangli;Liu, Keliang;Xu, Liang. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2018.Computed Properties of C13H12O2 The following contents are mentioned in the article:

DNA helix-based HIV-1 fusion inhibitors have been discovered as potent drug candidates. Introduction of hydrophobic groups to a nucleobase provides an opportunity to design inhibitors with novel structures and mechanisms of action. In this work, two novel nucleoside analogs (1 and 2) were synthesized and incorporated into four DNA duplex- and quadruplex-based inhibitors. All the mols. showed anti-HIV-1 fusion activity. The effect of the p-benzyloxyphenyl group and the attached linker on the helix formation and thermal stability were fully compared and discussed. Surface plasmon resonance anal. further indicated that inhibitors with the same DNA helix may still have variable reaction targets, mainly attributed to the different hydrophobic modifications. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2Computed Properties of C13H12O2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Computed Properties of C13H12O2

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Multicomponent Cyclopropane Synthesis Enabled by Cu-Catalyzed Cyclopropene Carbometalation with Organoboron Reagent: Enantioselective Modular Access to Polysubstituted 2-Arylcyclopropylamines was written by Li, Zhanyu;Zhang, Mengru;Zhang, Yu;Liu, Shuang;Zhao, Jinbo;Zhang, Qian. And the article was included in Organic Letters in 2019.Product Details of 1003858-50-1 The following contents are mentioned in the article:

The use of functional-group-tolerant organoboron in lieu of basic organometallic reagents in base-metal-catalyzed cyclopropene carbometalation opens three-component cyclopropane synthesis, as exemplified by the modular assembly of the highly medicinally relevant 2-arylcyclopropylamine (ACPA) framework via stereoselective carboamination. The highly enantioselective version has been realized to afford enantioenriched ACPAs with up to all three cyclopropyl carbons as stereogenic centers in one operation, representing the first example of enantioselective multicomponent cyclopropane synthesis. The reaction significantly improves the efficiency of ACPA synthesis and may inspire the development of other multicomponent cyclopropane syntheses beyond amination. This study involved multiple reactions and reactants, such as 2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1Product Details of 1003858-50-1).

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Acyl chlorides and acid anhydrides alcoholysis is another way to produce esters. Acyl chlorides and acid anhydrides react with alcohols to produce esters. Anydrous conditions are recommended since both acyl chlorides and acid anhydrides react with water.Product Details of 1003858-50-1

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Ether – Wikipedia,
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Highly convergent modular access to poly-carbon substituted cyclopropanes via Cu(I)-catalyzed three-component cyclopropene carboallylation was written by Li, Hexin;Zhang, Mengru;Mehfooz, Haroon;Zhu, Dongxia;Zhao, Jinbo;Zhang, Qian. And the article was included in Organic Chemistry Frontiers in 2019.Category: ethers-buliding-blocks The following contents are mentioned in the article:

A conjunctive C-C cross-coupling of cyclopropenes enabled by a Cu-catalyzed three-component reaction of organoboron, cyclopropene and allylic bromide, which featured a modular, stereoselective assembly of poly-carbon substituted cyclopropanes I [R¹ = Ph, 4-MeC₆H₄, 2-naphthyl, etc.; R² = Me, Ph, 4-MeC₆H₄, etc.; R³ = Ph, 4-MeC₆H₄, 3-thienyl, etc.; R⁴ = H, Me, Br, etc.; R⁵ = H, F, CH₂CH₂CH:C(Me)₂, etc.; R⁶ = H, F, Me, etc.] was reported. Preliminary studies showed that the reaction could be extended to benzylation and made enantioselective with C2-sym. bisphosphine ligands. This study involved multiple reactions and reactants, such as 2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1Category: ethers-buliding-blocks).

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.Category: ethers-buliding-blocks

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Ether – Wikipedia,
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Discovery of Reversible Inhibitors of KDM1A Efficacious in Acute Myeloid Leukemia Models was written by Romussi, Alessia;Cappa, Anna;Vianello, Paola;Brambillasca, Silvia;Cera, Maria Rosaria;Dal Zuffo, Roberto;Faga, Giovanni;Fattori, Raimondo;Moretti, Loris;Trifiro, Paolo;Villa, Manuela;Vultaggio, Stefania;Cecatiello, Valentina;Pasqualato, Sebastiano;Dondio, Giulio;So, Chi Wai Eric;Minucci, Saverio;Sartori, Luca;Varasi, Mario;Mercurio, Ciro. And the article was included in ACS Medicinal Chemistry Letters in 2020.SDS of cas: 103-16-2 The following contents are mentioned in the article:

Lysine-specific demethylase 1 (LSD1 or KDM1A) is a FAD-dependent enzyme that acts as a transcription corepressor or coactivator by regulating the methylation status of histone H3 lysines K4 and K9, resp. KDM1A represents an attractive target for cancer therapy. While, in the past, the main medicinal chem. strategy toward KDM1A inhibition was based on the optimization of ligands that irreversibly bind the FAD cofactor within the enzyme catalytic site, we and others have also identified reversible inhibitors. Herein we reported the discovery of 5-imidazolylthieno[3,2-b]pyrroles, a new series of KDM1A inhibitors endowed with picomolar inhibitory potency, active in cells and efficacious after oral administration in murine leukemia models. This study involved multiple reactions and reactants, such as 4-Benzyloxyphenol (cas: 103-16-2SDS of cas: 103-16-2).

4-Benzyloxyphenol (cas: 103-16-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Esters are more polar than ethers but less polar than alcohols. They participate in hydrogen bonds as hydrogen-bond acceptors, but cannot act as hydrogen-bond donors, unlike their parent alcohols. This ability to participate in hydrogen bonding confers some water-solubility.SDS of cas: 103-16-2

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

Regioselective Activation of a Sterically More Hindered C-C Bond of Biphenylenes Using an Alkene as Both a Directing Group and a Reaction Moiety was written by Takano, Hideaki;Ito, Takeharu;Kanyiva, Kyalo Stephen;Shibata, Takanori. And the article was included in Chemistry – A European Journal in 2018.Reference of 1132669-90-9 The following contents are mentioned in the article:

The Rh-catalyzed intramol. reaction of 1-(2-vinylaryl)-substituted biphenylenes was used to construct a dihydrobenzo[b]fluoranthene skeleton. This transformation was achieved by regioselective C-C bond cleavage of a sterically more hindered biphenylene site by using alkene as both a directing group and a reaction moiety. Furthermore, we measured and analyzed the photophys. properties of the new multicyclic fused compounds This study involved multiple reactions and reactants, such as 5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9Reference of 1132669-90-9).

5-Methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (cas: 1132669-90-9) belongs to ethers. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits, including apples, durians, pears, bananas, pineapples, and strawberries. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.Reference of 1132669-90-9

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Ether – Wikipedia,
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Carbene adduct of cyclopalladated ferrocenylimine-assisted synthesis of aminopyridine derivatives by the amination of chloropyridines with primary and secondary amines was written by Mu, Bing;Li, Jingya;Wu, Yangjie. And the article was included in Applied Organometallic Chemistry in 2013.HPLC of Formula: 562085-85-2 The following contents are mentioned in the article:

An efficient, simple way to synthesize aminopyridine derivatives is presented, based on Buchwald-Hartwig aminations. Using 1 mol% N-heterocyclic carbene adduct of cyclopalladated ferrocenylimine in the presence of 1.5 equivalent tBuOK as base in dioxane at 110°C offered moderate to excellent yields in the reaction of chloropyridines with primary and secondary amines, including sterically hindered amines and alkyl amines. This study involved multiple reactions and reactants, such as N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2HPLC of Formula: 562085-85-2).

N-(4-Methoxyphenyl)pyridin-3-amine (cas: 562085-85-2) belongs to ethers. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Because of their lack of hydrogen-bond-donating ability, esters do not self-associate. Consequently, esters are more volatile than carboxylic acids of similar molecular weight.HPLC of Formula: 562085-85-2

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Ether – Wikipedia,
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Neopentylglycolborylation of Aryl Mesylates and Tosylates Catalyzed by Ni-Based Mixed-Ligand Systems Activated with Zn was written by Wilson, Daniela A.;Wilson, Christopher J.;Moldoveanu, Costel;Resmerita, Ana-Maria;Corcoran, Patrick;Hoang, Lisa M.;Rosen, Brad M.;Percec, Virgil. And the article was included in Journal of the American Chemical Society in 2010.COA of Formula: C12H17BO3 The following contents are mentioned in the article:

The mixed-ligand system NiCl₂(dppp)/dppf is shown to be an effective catalyst for the neopentylglycolborylation of ortho-, meta-, and para-substituted electron-rich and electron-deficient aryl mesylates and tosylates. The addition of Zn powder as a reductant dramatically increases the reaction yield and reduces the reaction time by more than an order of magnitude, providing complete conversion in 1-3 h. This study involved multiple reactions and reactants, such as 2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1COA of Formula: C12H17BO3).

2-(3-Methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 1003858-50-1) belongs to ethers. Esters are also usually derived from carboxylic acids. It may also be obtained by reaction of acid anhydride or acid halides with alcohols or by the reaction of salts of carboxylic acids with alkyl halides. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.COA of Formula: C12H17BO3

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Ether – Wikipedia,
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