Tag: 100-200

Methyl Scanning and Revised Binding Mode of 2-Pralidoxime, an Antidote for Nerve Agent Poisoning was written by Gambino, Adriana;Burnett, James C.;Koide, Kazunori. And the article was included in ACS Medicinal Chemistry Letters in 2020.HPLC of Formula: 1122-71-0 This article mentions the following:

Organophosphorus nerve agents (OPNAs) inhibit acetylcholinesterase (AChE) and, despite the Chem. Weapons Convention arms control treaty, continue to represent a threat to both military personnel and civilians. 2-Pralidoxime (2-PAM) is currently the only therapeutic countermeasure approved by the United States Food and Drug Administration for treating OPNA poisoning. However, 2-PAM is not centrally active due to its hydrophilicity and resulting poor blood-brain barrier permeability; hence, these deficiencies warrant the development of more hydrophobic analogs. Specifically, gaps exist in previously published structure activity relationship (SAR) studies for 2-PAM, thereby making it difficult to rationally design novel analogs that are concomitantly more permeable and more efficacious. In this study, we methodically performed a Me scan on the core pyridinium of 2-PAM to identify ring positions that could tolerate both addnl. steric bulk and hydrophobicity. Subsequently, SAR-guided mol. docking was used to rationalize hydropathically feasible binding modes for 2-PAM and the reported derivatives Overall, the data presented herein provide new insights that may facilitate the rational design of more efficacious 2-PAM analogs. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0HPLC of Formula: 1122-71-0).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.HPLC of Formula: 1122-71-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Mold metabolites. IV. The ultraviolet absorption spectra of certain aromatic hydroxy ketones was written by Cram, Donald J.;Cranz, F. W.. And the article was included in Journal of the American Chemical Society in 1950.Safety of 2′,6′-Dihydroxy-4′-methylacetophenone This article mentions the following:

The ultraviolet absorption spectra of all possible mono- and di-nuclear methylated derivatives of 2,4-dihydroxyacetophenone (I) and 2,6-dihydroxyacetophenone (II) are tabulated. An empirical correlation of the positions of the spectral bands of these compounds was made. The following derivatives of PhCOMe were prepared by methods in the literature (m.ps. given): II 155-6°, 2,4-dihydroxy-3-methyl 155-6°, 2,6-dihydroxy-3-methyl (III) 138-9°, 2,6-dihydroxy-4-methyl 146-7°, 2,6-dimethoxy 72-3°, 2-hydroxy-6-methoxy 58-9°. Me₂SO₄ (1 cc.) and 2 cc. 20% KOH were added dropwise and alternately to 50 mg. III in 3 cc. MeOH, yielding 40 mg. 2,6-dimethoxy-3-methylacetophenone, m. 40-1° (wedge-shaped white crystals). 4,5-Dimethylresorcinol (400 mg.), 226 mg. AcCl, 1.15 g. AlCl₃, and 2 cc. PhNO₂ were allowed to stand at room temperature 1 hr., heated to 60°, cooled and poured into ice and H₂O, extracted with ether, yielding 45 mg. 2,6-dihydroxy-3,4-dimethylacetophenone, m. 82-3°, faintly yellow needles. Formylation of 4-methylresorcinol yielded 85% 2,4-dihydroxy-5-methylbenzaldehyde (IV), m. 146-7°. IV was converted to the di-Me ether (V), m. 117-18° (yield 87%). V was reduced (78% yield) to 1,3-dimethoxy-4,6-dimethylbenzene (VI), m. 75-6°. Demethylation of VI with 48% HBr yielded 92% 4,6-dimethylresorcinol (VII), m. 127-8°; diacetate (VIII) m. 48°. VII (1 g.), 0.75 g. Ac₂O, and 1 cc. BF₃-etherate (45%) allowed to stand overnight at room temperature yielded 400 mg. 2,6-dihydroxy-3,5-dimethylacetophenone, m. 139-40° (yellow needles from 1:1 MeOH-water). VIII (1.2 g.) and 2.4 g. AlCl₃ were heated to 120° and the temperature was raised to 180° during 1 hr., the mixture cooled, decomposed in boiling water, and extracted with ether, yielding 210 mg. 2,4-diacetyl-6-methylresorcinol, m. 83-4° (faintly yellow needles from aqueous MeOH). In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0Safety of 2′,6′-Dihydroxy-4′-methylacetophenone).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Safety of 2′,6′-Dihydroxy-4′-methylacetophenone

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Highly dispersed ultrafine palladium nanoparticles encapsulated in a triazinyl functionalized porous organic polymer as a highly efficient catalyst for transfer hydrogenation of aldehydes was written by Yang, Jin;Yuan, Man;Xu, Dan;Zhao, Hong;Zhu, Yangyang;Fan, Menying;Zhang, Fengwei;Dong, Zhengping. And the article was included in Journal of Materials Chemistry A: Materials for Energy and Sustainability in 2018.Recommanded Product: 1777-82-8 This article mentions the following:

Fabrication of highly dispersed ultrafine noble metal nanoparticle (NMNP) based catalysts with high stability and excellent catalytic performance is a challenging issue for heterogeneous catalysis. As an alternative complement to existing solutions, herein, we designed and synthesized a stable triazinyl-pentaerythritol porous organic polymer (TP-POP) through a facile polycondensation between cyanuric chloride and pentaerythritol. The obtained TP-POP material has a three-dimensional folded structure, rich triazinyl groups, abundant hydrophobic pores and high thermal stability. Ultrafine Pd NPs with a narrow size distribution (1.4-2.8 nm) are then successfully confined in the organic pores of the TP-POP, through a reversed double solvent approach (RDSA). It is worth noting that the current strategy can effectively confine Pd NPs in the inner space of the TP-POP, and successfully avoids the agglomeration of Pd NPs as compared with the common impregnation-reduction method. The as-prepared Pd@TP-POP catalyst shows excellent catalytic activity in the reduction of 4-nitrophenol and transfer hydrogenation of aromatic aldehydes under mild conditions. The excellent performance of the Pd@TP-POP catalyst is attributed to the abundant mesopores of the TP-POP which can enhance the accessibility of the highly dispersed ultrafine Pd NP active sites that are confined in the organic pores. More importantly, the Pd@TP-POP catalyst is easily recycled and highly stable without loss of its catalytic activity even after ten reaction cycles. Therefore, this study provides a new platform for designing and fabricating stable POP materials to confine size-controlled NMNPs with superior catalytic performance for various potential catalysis applications. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8Recommanded Product: 1777-82-8).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Recommanded Product: 1777-82-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Direct conversion of waste polyesters to low molecular weight polyols for polyurethane production was written by Ngo, Dieu Minh;Lee, Kyunghan;Ho, Linh Nguyet Thi;Lee, Jinseok;Jung, Hyun Min. And the article was included in Polymer Degradation and Stability in 2022.Electric Literature of C4H10O3 This article mentions the following:

An effective process for synthesizing liquid dihydroxyl group-ended oligomers directly from waste polyethylene terephthalate (PET) using a metal chelating agent, EDTA (EDTA), is described in this study. The deactivation of transesterification catalyst was confirmed by a model process that involves the reaction of bis(2-hydroxyethyl) terephthalate with diethylene glycol under different catalytic conditions. The depolymerization of PET was performed with an excess amount of diethylene glycol and Zn²⁺ catalysts to form intermediates. The chelating agent was then introduced as a catalytic defunctionalizer, after which the residual glycols were distilled and recovered under reduced pressure. The obtained polyols were characterized by ¹H and ¹³C NMR, gel permeation chromatog., and viscometry. Utilizing EDTA showed high efficiency in blocking catalysts during high-temperature distillation, resulting in maximum trimer chain-length sized and low-viscosity liquid polyols. Subsequently, thermoplastic polyurethanes (TPUs) were prepared using synthesized polyols as the soft segment, with 4,4′-methylene-bis(Ph isocyanate) and 1,4-butanediol as the isocyanate and chain extender, resp. The final TPUs were characterized using Fourier-transform IR spectroscopy, thermogravimetric anal., and mech. testing. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Electric Literature of C4H10O3).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Electric Literature of C4H10O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bioproduction of Enantiopure (R)- and (S)-2-Phenylglycinols from Styrenes and Renewable Feedstocks was written by Sekar, Balaji Sundara;Mao, Jiwei;Lukito, Benedict Ryan;Wang, Zilong;Li, Zhi. And the article was included in Advanced Synthesis & Catalysis in 2021.Computed Properties of C8H10ClNO This article mentions the following:

Enantiopure (R)- and (S)-2-phenylglycinols are important chiral building blocks for pharmaceutical manufacturing Several chem. and enzymic methods for their synthesis were reported, either involving multi-step synthesis or starting from a relatively complex chem. Here, we developed one-pot simple syntheses of enantiopure (R)- and (S)-2-phenylglycinols from cheap starting materials and renewable feedstocks. Enzyme cascades consisting of epoxidation-hydrolysis-oxidation-transamination were developed to convert styrene to (R)- and (S)-2-phenylglycinol (1a), with butanediol dehydrogenase for alc. oxidation as well as BmTA and NfTA for (R)- and (S)-enantioselective transamination, resp. The engineered E. coli strains expressing the cascades produced 1015 mg/L (R)-1a in >99% ee and 315 mg/L (S)-1a in 91% ee, resp., from styrene. The same cascade also converted substituted styrenes and indene into substituted (R)-phenylglycinols and (1R,2R)-1-amino-2-indanol in 95->99% ee. To transform bio-based L-phenylalanine 6 to (R)-1a and (S)-1a, (R)- and (S)-enantioselective enzyme cascades for deamination-decarboxylation-epoxidation-hydrolysis-oxidation-transamination were developed. The engineered E. coli strains produced (R)-1a and (S)-1a in high ee at 576 mg/L and 356 mg/L, resp., from L-phenylalanine 6, as the first synthesis of these compounds from a bio-based chem. Finally, L-phenylalanine biosynthesis pathway was combined with (R)- or (S)-enantioselective cascade in one strain or coupled strains, to achieve the first synthesis of (R)-1a and (S)-1a from a renewable feedstock. The coupled strain approach enhanced the production, affording 274 and 384 mg/L (R)-1a and 274 and 301 mg/L (S)-1a, from glucose and glycerol, resp. The developed methods could be potentially useful to produce these high-value chems. from cheap starting materials and renewable feedstocks in a green and sustainable manner. In the experiment, the researchers used many compounds, for example, (R)-2-Amino-2-(3-chlorophenyl)ethanol (cas: 926291-77-2Computed Properties of C8H10ClNO).

(R)-2-Amino-2-(3-chlorophenyl)ethanol (cas: 926291-77-2) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R―O−). For example, sodamide (NaNH2), a very strong base, abstracts the hydrogen atom of an alcohol. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Computed Properties of C8H10ClNO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis, Structural Characterization and Anti-Proliferative Activity of (κ¹-C)- and (κ²-C,S)-Pt^II Complexes Bearing Thioether-Functionalized N-Heterocyclic Carbenes was written by Egly, Julien;Bouche, Mathilde;Chen, Weighang;Maisse-Francois, Aline;Achard, Thierry;Bellemin-Laponnaz, Stephane. And the article was included in European Journal of Inorganic Chemistry in 2018.Safety of Sodium 2-methyl-2-propanethiolate This article mentions the following:

A series of platinum(II) complexes bearing thioether-functionalized N-heterocyclic carbene ligands have been synthesized and characterized. The hemilabile and reversible character (i.e., coordination/decoordination) of the sulfur moiety in these platinum complexes has been established by ligand displacement (addition of pyridine) and ligand abstraction (on silica gel). The chem. reactivity of these complexes with glutathione has been investigated by NMR spectroscopy and mass spectrometry. Their biol. activity towards various human cancer cells has been studied; these S-functionalized NHC-platinum complexes displayed moderate cytotoxicity. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Safety of Sodium 2-methyl-2-propanethiolate).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Alcohols may be oxidized to give ketones, aldehydes, and carboxylic acids. These functional groups are useful for further reactions. Oxidation of organic compounds generally increases the number of bonds from carbon to oxygen (or another electronegative element, such as a halogen), and it may decrease the number of bonds to hydrogen.Safety of Sodium 2-methyl-2-propanethiolate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Phytogenic supplement containing menthol, carvacrol and carvone ameliorates gut microbiota and production performance of commercial layers was written by Bajagai, Yadav S.;Petranyi, Friedrich;J. Yu, Sung;Lobo, Edina;Batacan, Romeo Jr.;Kayal, Advait;Horyanto, Darwin;Ren, Xipeng;M. Whitton, Maria;Stanley, Dragana. And the article was included in Scientific Reports in 2022.Recommanded Product: 5-Isopropyl-2-methylphenol This article mentions the following:

Consumer push towards open and free-range production systems makes biosecurity on farms challenging, leading to increased disease and animal welfare issues. Phytogenic products are increasingly becoming a viable alternative for the use of antibiotics in livestock production Here we present a study of the effects of com. phytogenic supplement containing menthol, carvacrol and carvone on intestinal microbiota of layer hens, microbial functional capacity, and intestinal morphol. A total of 40,000 pullets were randomly assigned to two sides of the exptl. shed. Growth performance, mortality, egg production and egg quality parameters were recorded throughout the trial period (18-30 wk of age). Microbial community was investigated using 16S amplicon sequencing and functional difference using metagenomic sequencing. Phytogen supplemented birds had lower mortality and number of dirty eggs, and their microbial communities showed reduced richness. Although phytogen showed the ability to control the range of poultry pathogens, its action was not restricted to pathogenic taxa, and it involved functional remodelling the intestinal community towards increased cofactor production, heterolactic fermentation and salvage and recycling of metabolites. The phytogen did not alter the antimicrobial resistance profile or the number of antibiotic resistance genes. The study indicates that phytogenic supplementation can mimic the action of antibiotics in altering the gut microbiota and be used as their alternative in industry-scale layer production In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Recommanded Product: 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Under appropriate conditions, inorganic acids also react with alcohols to form esters. To form these esters, a wide variety of specialized reagents and conditions can be used. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Recommanded Product: 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis, structure and reactivity in styrene polymerization by heterocyclic alkoxy- and thiolatotitanium(IV) complexes was written by Aragon, Pedro J.;Carrillo-Hermosilla, Fernando;Villasenor, Elena;Otero, Antonio;Antinolo, Antonio;Rodriguez, Ana M.. And the article was included in European Journal of Inorganic Chemistry in 2006.COA of Formula: C7H9NO This article mentions the following:

The reaction of [Ti(OiPr)₄] or [TiCl₄(THF)₂] with two equivalent of pyridyl alcs. or pyridyl or pyrimidinyl thiols has proven to be a good preparative method to obtain a variety of non-metallocene diisopropoxo- or dichlorotitanium(IV) complexes. The complexes [Ti(X)₂{2-(OCH₂)-6-R-(C₅H₃N)}₂] were found to be dynamic at room temperature, with the heterocyclic alkoxy ligand dissociating and recoordinating in a κ²-N,O chelate fashion, as revealed by a single-crystal X-ray anal. of [Ti(OiPr)₂{2-(OCH₂)(C₅H₄N)}₂] (1). The dynamic behavior of some of the resulting thiolato complexes was also studied and the single-crystal X-ray anal. of [Ti(OiPr)₂{2-S-4,6-Me₂-(C₄HN₂)}₂] (5) revealed a κ²-N,S system for these complexes. These complexes show catalytic activity in the polymerization of styrene upon activation with methylaluminoxane. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0COA of Formula: C7H9NO).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.COA of Formula: C7H9NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth-Metal Complexes Supported with Phenoxy-Functionalized TsDPEN Ligands was written by Yu, Qishun;Lu, Chengrong;Zhao, Bei. And the article was included in Organometallics in 2021.Application In Synthesis of (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

Six novel chiral rare-earth-metal complexes bearing the phenoxy-functionalized TsDPEN ligands I (H₃Lⁿ, R¹, R² = = ^tBu, Me, H, 1-adamantyl, OMe; R³ = 4-Me, 3-Me, 2-Me, 4-^tBu, H, 4-F, 4-CF₃) were prepared and well characterized. The solid-state structures of four tetranuclear rare-earth-metal complexes [Ln₂L¹₃]₂ (1–4; R¹ = R² = ^tBu, R³ = 4-Me; Ln = Nd, Sm, Eu, Gd) and the dual-core yttrium complex [Y₂L¹₃] (5) were determined by X-ray diffraction, resp. The structure of lanthanum complex 6 was speculated by the ¹H DOSY spectroscopy in THF-d₈ together with DFT calculations Complexes 1–5 were employed to catalyze the enantioselective hydroboration of ketones and α,β-unsaturated ketones using pinacolborane (HBpin) as a reductant, and complex 1 gave better outcomes in comparison to the others. The corresponding secondary alcs. were obtained in excellent yields and moderate ee values. The same results were also achieved using the combined catalyst system of the neodymium amide Nd[N(SiMe₃)₂]₃ with the phenoxy-functionalized TsDPEN ligand H₃L¹ in a 1:1.5 molar ratio. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Application In Synthesis of (R)-1-(3-Chlorophenyl)ethanol).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. The oxygen atom of the strongly polarized O―H bond of an alcohol pulls electron density away from the hydrogen atom. This polarized hydrogen, which bears a partial positive charge, can form a hydrogen bond with a pair of nonbonding electrons on another oxygen atom. A multistep synthesis may use Grignard-like reactions to form an alcohol with the desired carbon structure, followed by reactions to convert the hydroxyl group of the alcohol to the desired functionality.Application In Synthesis of (R)-1-(3-Chlorophenyl)ethanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Characterization and antibacterial activity study of α-Lactalbumin-carvacrol complex was written by Diao, Mengxue;Yan, Mi;Wang, Yingyi;Yan, Xiaoxia;Dong, Shuyue;Lu, Yitong;Zhang, Tiehua. And the article was included in Food Chemistry in 2022.Safety of 5-Isopropyl-2-methylphenol This article mentions the following:

Food contamination and poisoning caused by bacteria will endanger human health, and the development of natural antibacterial agents is a pressing issue. We prepared ALA-Car complex and demonstrated its formation by multi-spectroscopy techniques and localized surface plasmon resonance experiments Computer simulations have shown that van der Waals forces dominate the interaction between ALA and Car. The min. inhibitory concentration (MIC) of Car toward Gram-neg. Escherichia coli was decreased from 336 μg/mL to 224 μg/mL after binding to ALA. It had little effect on the MIC of Gram-pos. Staphylococcus aureus (224 μg/mL), but further proved Car had a weaker antibacterial activity than the ALA-Car complex by the spread plate method. Overall, this work demonstrated that the ALA-Car complex had significantly higher antibacterial activities than Car, further advancing the development of natural antibacterial agents. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Safety of 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Alcohols are weak acids. The most acidic simple alcohols (methanol and ethanol) are about as acidic as water, and most other alcohols are somewhat less acidic. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Safety of 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts