Month: February 2023

Novel thioether Schiff base transition metal complexes: Design, synthesis, characterization, molecular docking, computational, biological and catalytic studies was written by Singh, Anmol;Gogoi, Himadri Priya;Barman, Pranjit;Guha, Ankur Kanti. And the article was included in Applied Organometallic Chemistry in 2022.Category: alcohols-buliding-blocks This article mentions the following:

A series of novel copper(II), nickel(II), zinc(II) and cobalt(II) Schiff base metal complexes were synthesized by the reaction of 2-(benzylthio)aniline with pyrrole-2-carboxaldehyde and characterized by FT-IR, UV-visible, elemental analyses, ¹H-NMR, magnetic susceptibility and ESI-MS. The Schiff base ligand posed as an NS-bidentate ligand, confirming the synthesis of metal complexes with the suggested structure, according to the spectrum anal. data. All the complexes acquire square planar geometry. Furthermore, the DFT method was utilized to conduct computational analyses of metal complexes. The spectroscopic (UV-Vis and fluorescence) techniques were employed to probe the binding nature of calf thymus-DNA binding to metal complexes. The metal complexes interact with DNA through intercalative mode, according to the spectroscopic titration data. The antioxidant properties of metal complexes were evaluated using their reducing ability and free radical scavenging activity of DPPH. The antioxidant property is high in isolated complexes. The in vitro anti-inflammatory efficacy of all complexes has also been studied. All the metal complexes exhibited effective anti-inflammatory activity and can be used as synthetic drugs. The synthesized copper(II) complex exhibits excellent catalytic activities for the transformation reaction of alc. to aldehyde in the presence of hydrogen peroxide. The interaction of metal complexes with active sites of the B-DNA (1-BNA) and 6-COX (COX 2) was studied using docking studies. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Category: alcohols-buliding-blocks).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cobalt-catalyzed alkoxycarbonylation of ethers: Direct synthesis of α-oxy esters from phenols and alcohols was written by Wang, Le-Cheng;Xu, Jian-Xing;Wu, Xiao-Feng. And the article was included in Journal of Catalysis in 2022.Formula: C10H20O This article mentions the following:

A cobalt-catalyzed direct alkoxycarbonylation of ethers (such as THF, 1,4-dioxane, ethoxyethane, etc.) has been accomplished. This new catalytic system allows the use of ethers, important building blocks in organic synthesis, as the carbonylation substrates. A variety of phenols and alcs. ROH was transformed to the corresponding α-oxy ester derivatives ROC(O)R¹ (R¹ = oxolan-2-yl, 1,4-dioxan-2-yl, 1-ethoxyethyl, etc.; R = Ph, naphthalen-2-yl, pyridin-3-yl, adamantan-1-yl, etc.) in high yields with excellent functional group tolerance. In addition, several pharmaceutical and bioactive mol. related compounds were also suitable substrates for this carbonylation process, and the target products were obtained in good yields. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Formula: C10H20O).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Formula: C10H20O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A nutritional strategy to promote gilthead seabream performance under low temperatures was written by Teodosio, Rita;Aragao, Claudia;Colen, Rita;Carrilho, Raquel;Dias, Jorge;Engrola, Sofia. And the article was included in Aquaculture in 2021.COA of Formula: C18H32CaN2O10 This article mentions the following:

Gilthead seabream (Sparus aurata) is vulnerable to low water temperature, which may occur in the Southern Europe and Mediterranean region during Winter. Fish are poikilothermic animals, therefore feed intake, digestion, metabolism and ultimately growth are affected by water temperature This study aimed to evaluate growth performance, feed utilization, nutrient apparent digestibility, and nitrogen losses to the environment in gilthead seabream juveniles reared under low temperature (∼13 °C). Three isolipid and isoenergetic diets were formulated: a diet similar to a com. feed (COM) that contained 44% crude protein and 27.5% fishmeal, and two exptl. diets with a lower protein content of 42% (ECO and ECOSup). In both ECO diets fishmeal inclusion was reduced (10% in ECO and 7.5% in ECOSup diet) and 15% poultry meal was included. Addnl., the ECOSup diet was supplemented with a mix of feed additives intended to promote fish growth performance and feed intake. The ECO diets presented lower production costs than the COM diet, while incorporating more sustainable ingredients. Gilthead seabream juveniles (±154.5 g initial body weight) were randomly assigned to triplicate tanks and fed the diets for 84 days. Fish fed the ECOSup diet attained a similar final body weight than fish fed the COM diet, significantly higher than fish fed the ECO diet. ECOSup fed fish presented significantly higher hepatosomatic index than COM fed fish, most likely due to higher hepatic glycogen reserves. The viscerosomatic index of ECOSup fed fish were significantly lower compared to COM fed fish, which is a pos. achievement from a consumer′s point of view. ECOSup diet exhibited similar nutrient digestibility than the COM diet. Moreover, feeding fish with the ECO diets resulted in lower faecal nitrogen losses when compared to COM fed fish. The results suggest that feeding gilthead seabream with an eco-friendly diet with a mix of feed additives such as the ECOSup diet, promoted growth and minimised nitrogen losses to the environment. Nutritional strategies that ultimately promote feed intake and diet utilization are valuable tools that may help conditioning fish to sustain growth even under low temperatures In the experiment, the researchers used many compounds, for example, Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate (cas: 137-08-6COA of Formula: C18H32CaN2O10).

Calcium (R)-3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate (cas: 137-08-6) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.COA of Formula: C18H32CaN2O10

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Catalytic activity of SBA-15 supported CuO for selective oxidation of veratryl alcohol to veratraldehyde was written by Dhinagaran, G.;Harichandran, G.;Suvaitha, S. Prashanna;Venkatachalam, K.. And the article was included in Molecular Catalysis in 2022.SDS of cas: 57-55-6 This article mentions the following:

Selective oxidation of veratryl alc. (VAlc) to veratraldehyde (VAld) under mild conditions using heterogeneous catalysts is advantageous for industrial applications. In the present study, newly developed SBA-15 supported copper oxide catalyst designated as CuO(5,10,15 weight%)/SBA-15 was examined for the selective oxidation of VAlc to VAld using tert-Bu hydroperoxide (TBHP) as an oxidant between 40 and 100°C. CuO(10 weight%)/SBA-15 showed high conversion (82.5%) compared to others by forming VAld with 100% selectivity. We examined its selective oxidising power using a substrate possessing both the primary and secondary alc. functions, namely propylene glycol (PG). In this substrate, only the secondary alc. group was oxidized to hydroxyacetone (HA). It suggests preferential adsorption of the primary alc. group of PG on the catalyst surface close to the adsorbed TBHP, thus leaving only the secondary alc. group positionally favorable for oxidation In addition, the catalyst effectively oxidized 2-butanol to 2-butanone. So, the catalyst is verified active against both primary and secondary alcs., but when both of them are present on the adjacent carbons of the same compound, only the secondary alc. function is oxidized. So, the present catalyst could have tremendous applications for selective oxidation in organic synthesis. In the experiment, the researchers used many compounds, for example, 1,2-Propanediol (cas: 57-55-6SDS of cas: 57-55-6).

1,2-Propanediol (cas: 57-55-6) 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. 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.SDS of cas: 57-55-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Nonlinear optical organic co-crystals of merocyanine dyes and phenolic derivatives with short hydrogen bonds was written by Bosshard, Christian;Pan, Feng;Wong, Man Shing;Manetta, Sabine;Spreiter, Rolf;Cai, Chengzhi;Gunter, Peter;Gramlich, Volker. And the article was included in Chemical Physics in 1999.HPLC of Formula: 60463-12-9 This article mentions the following:

We investigated the co-crystallization of merocyanine dyes M (M : RN⁺C₅H₄CH:CHC₆H₄O^–, M1: R = Me, M2: R = HOCH₂CH₂) with phenolic and aniline derivatives and show that the short or very short hydrogen bond between the two phenolic oxygen atoms which lead to a self-assembly of the M dyes and phenol derivatives is the key steering force for the cocrystn. process. The cocrystal formation was studied by m.p. determination, by second-harmonic generation using the Kurtz and Perry powder test, and X-ray structural anal. We present detailed results on the growth, polymorphism, and nonlinear optical properties of cocrystals of derivatives of M1 (M2) and m-nitrophenol (mNP) and cocrystals of M2 and Me 2,4-dihydroxybenzoate (MDB). Three phases of the cocrystal M2·mNP and three phases of the cocrystal M2·MDB were found. Both M2·MDB(I) and (II) have the same crystal structure (space group symmetry Cc determined by X-ray diffraction), but show different linear and nonlinear optical properties. This unusual property in the co-crystals of M2·MDB(I) and (II) may be caused by a different proton location of the short hydrogen bond (O-H-O) in the aggregation between M2 and MDB which could not be resolved by X-ray diffraction. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9HPLC of Formula: 60463-12-9).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.HPLC of Formula: 60463-12-9

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Profile of stilbenes and other phenolics in fanagoria white and red russian wines was written by Suprun, Andrey R.;Dubrovina, Alexandra S.;Tyunin, Alexey P.;Kiselev, Konstantin V.. And the article was included in Metabolites in 2021.Category: alcohols-buliding-blocks This article mentions the following:

Grapes and wines represent the most important source of edible stilbenes and other phenolic metabolites, which demonstrate a wide range of valuable biol. activities. However, there is no information about the profile and content of phenolic compounds in Russian wines. We firstly analyzed phenolics (stilbenes, phenolic acids, and flavonols) in some representatives of Russian wines, including eleven red and seven white Russian wines from Fanagoria, Krasnodarsky Territory. The Russian red wines contained six stilbenes (trans-resveratrol, cis-resveratrol, trans-, cis-piceid, trans-piceatannol, δ-viniferin), while the white wines contained only five stilbenes (cis-resveratrol, trans-, cis-piceid, trans-piceatannol, trans-resveratrol). More than a half of the total stilbenes in the wines (65% of all stilbenes) were presented by trans-piceid and cis-piceid, while trans-resveratrol reached 16% of all the stilbenes. The red wines also contained six phenolic acids and six flavonols, while the white wines contained six phenolic acids and only three flavonols. Myrecitin-3-O-glucoside, quercetin-3-O-glucoside, and myricetin were the major flavonols in the red wines, while dihydroquercetin-3-O-rhamnoside was the major flavonol in the white wines. The red wines contained markedly higher amounts of stilbenes, phenolic acids, and flavonols than the white wines. Thus, the data showed that young red Russian Fanagoria wines represent a rich source of phenolic compounds The study also revealed that younger wines were more abundant in phenolics, and wine storage for six months in the dark at +10°C led to a decrease in the total content of phenolics, primarily monomeric stilbenes and quercetin-3-O-glucoside and quercetin flavonols. In the experiment, the researchers used many compounds, for example, (E)-4-(3,5-Dihydroxystyryl)benzene-1,2-diol (cas: 10083-24-6Category: alcohols-buliding-blocks).

(E)-4-(3,5-Dihydroxystyryl)benzene-1,2-diol (cas: 10083-24-6) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Palladium-Catalyzed Synthesis of 2,3-Diaryl-N-methylindoles from ortho-Alkynylanilines and Aryl Pinacol Boronic Esters was written by Luo, Yue-Gui;Basha, R. Sidick;Reddy, Daggula Mallikarjuna;Xue, Yong-Jing;Chen, Te-Hsuan;Lee, Chin-Fa. And the article was included in Organic Letters in 2018.Reference of 68716-49-4 This article mentions the following:

A palladium-catalyzed synthesis of 2,3-diaryl-N-methylindoles from o-alkynylanilines and aryl pinacol boronic esters was developed. The system possesses high functional group tolerance and a broad substrate scope with a variety of aryl pinacol boronic esters to provide valuable 2,3-diaryl-N-methylindoles in moderate to good yields. Remarkably, the sequential reaction controlled by iridium-catalyzed C-H borylation or palladium-catalyzed alkynylation followed by the present palladium-catalyzed C3 arylation reaction provided functionalized 2,3-diaryl-N-methylindoles in good yields. In the experiment, the researchers used many compounds, for example, 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4Reference of 68716-49-4).

2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4) 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. Converting an alcohol to an alkene requires removal of the hydroxyl group and a hydrogen atom on the neighbouring carbon atom. Dehydrations are most commonly carried out by warming the alcohol in the presence of a strong dehydrating acid, such as concentrated sulfuric acid.Reference of 68716-49-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A Sequential Pd/Norbornene-Catalyzed Process Generates o-Biaryl Carbaldehydes or Ketones via a Redox Reaction or 6H-Dibenzopyrans by C-O Ring Closure was written by Motti, Elena;Della Ca, Nicola;Xu, Di;Piersimoni, Anna;Bedogni, Elena;Zhou, Zhi-Ming;Catellani, Marta. And the article was included in Organic Letters in 2012.Recommanded Product: 60666-70-8 This article mentions the following:

O-Biaryl carbaldehydes and ketones are obtained through the one-pot reaction of o-substituted aryl iodides with o-bromobenzyl alcs. under the catalytic action of Pd and norbornene, in the presence of a base. The same reaction can also give dibenzopyrans by Pd and norbornene catalysis with a different termination, leading to C-O ring closure. In both cases the process first leads to a five-membered palladacycle, which controls C-C coupling, then to a seven-membered oxapalladacycle, which gives aldehydes and ketones or dibenzopyrans. In the experiment, the researchers used many compounds, for example, (2-Bromo-5-chlorophenyl)methanol (cas: 60666-70-8Recommanded Product: 60666-70-8).

(2-Bromo-5-chlorophenyl)methanol (cas: 60666-70-8) 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. 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.Recommanded Product: 60666-70-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

An Approach for Using In Vitro and In Silico Data to Identify Pharmaceuticals with Potential (Anti-)Estrogenic Activity in Aquatic Vertebrates at Environmentally Relevant Concentrations was written by Pinto, Caroline Lucia;Bloom, Raanan A.;Laurenson, James P.. And the article was included in Environmental Toxicology and Chemistry in 2019.COA of Formula: C24H23ClO2 This article mentions the following:

Endocrine-active pharmaceuticals can cause adverse reproductive and developmental effects in nontarget organisms. Aquatic vertebrates may be susceptible to the effects of such pharmaceuticals given that the structure of hormone receptors and the physiol. of the endocrine system are highly conserved across vertebrates. To aid in the regulatory review of the environmental impact of drugs, we demonstrate an approach to screen and support the prioritization of pharmaceuticals based on their ability to interact with estrogen receptors (ERs) at environmentally relevant concentrations Tox21 in vitro results from ER agonist and antagonist assays were retrieved for 1123 pharmaceuticals. In silico predictions from the Collaborative Estrogen Receptor Activity Prediction Project (CERAPP) models were used to estimate ER agonist and antagonist activity for an addnl. 170 pharmaceuticals not tested in the Tox21 assay platform. The estrogenic effect ratio (EER) and anti-estrogenic effect ratio (AEER) were calculated by comparing the activity concentration at half-maximal response (AC50) for ER agonism and antagonism, resp., with estimated pharmaceutical concentrations in fish tissue based on estimates of environmental exposures. A total of 73 and 127 pharmaceuticals were identified as ER agonists and antagonists, resp. As expected, 17β-estradiol and 17α-ethinylestradiol displayed EERs > 1, and raloxifene and bazedoxifene acetate displayed AEERs > 1, thus indicating that these pharmaceuticals have the potential to reach fish tissue levels that exceed concentrations estimated to interact with ERs. Four pharmaceuticals displayed EERs between 0.1 and 1, and 6 displayed AEERs between 0.1 and 1. This approach may help determine the need for submission of environmental assessment data for new drug applications and support prioritization of pharmaceuticals with the potential to disrupt endocrine signaling in vertebrates. Environ Toxicol Chem 2019;00:1-15. © 2019 SETAC. In the experiment, the researchers used many compounds, for example, (Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7COA of Formula: C24H23ClO2).

(Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol (cas: 128607-22-7) 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.COA of Formula: C24H23ClO2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Pyridyl unit in host compounds was written by Newcomb, Martin;Gokel, George W.;Cram, Donald J.. And the article was included in Journal of the American Chemical Society in 1974.Reference of 1122-71-0 This article mentions the following:

Eight multiheteromacrocycles, e.g. I, II, and III, were prepared Thus, the pyridine IV (R = H, R1 = OH) was treated with NaH and IV (R = H, R1 = Cl) and the resulting bispyridine V (R = H) was oxidized followed by treatment with Ac2O and hydrolysis to give V (R = OH), which with IV (R = R1 = Br) gave II. The pKa values of the monoprotonated macrocycles were determined II forms a 1:1 complex with Me3CN+H3SCN-. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Reference of 1122-71-0).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) 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. 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.Reference of 1122-71-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts