Month: February 2023

Reductive desilanolation as a route to benzonitriles. An application to a concise synthesis of the aromatic sector of calicheamicin was written by Olson, Steven H.;Danishefsky, Samuel. And the article was included in Tetrahedron Letters in 1994.Product Details of 15777-70-5 This article mentions the following:

The TMS-cyanohydrins of quinones undergo reductive desilanolation in the presence of samarium iodide to form hydroxybenzonitriles. Benzoquinone I was converted to the hexasubstituted aromatic fragment of calicheamicin II by this method. In the experiment, the researchers used many compounds, for example, 4-Hydroxy-3-methylbenzonitrile (cas: 15777-70-5Product Details of 15777-70-5).

4-Hydroxy-3-methylbenzonitrile (cas: 15777-70-5) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Product Details of 15777-70-5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Total synthesis of (+)-blennolide C and (+)-gonytolide C via spirochromanone was written by Adachi, Kanna;Hasegawa, Sho;Katakawa, Kazuaki;Kumamoto, Takuya. And the article was included in Tetrahedron Letters in 2017.Reference of 1634-34-0 This article mentions the following:

We report the asym. total synthesis of (+)-blennolide C (I) and (+)-gonytolide C (II) isolated from endophytic fungi. The synthesis involved construction of a spirochromanone with a chiral quaternary carbon by the aldol reaction of o-hydroxyacetophenones and optically active α-oxygenated cyclohexenone, followed by cyclization under acidic conditions. Oxidative cleavage of the alkene moiety of the spirochromanone furnished the chromanone diester. Through treating the diester with a Lewis acid, the first total synthesis of (+)-blennolide C was achieved by deprotecting the oxygen functionality of the diester and simultaneous Dieckmann condensation. Total synthesis of (+)-gonytolide C was also achieved by lactone formation from the deprotected diester. In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0Reference of 1634-34-0).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Reference of 1634-34-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Efficacy of cumin (Cuminum cyminum) and lavender (Lavandula angustifolia) essential oils as anaesthesics in common carp (Cyprinus carpio L.1758) was written by Metin, Secil;Yigit, Nalan Ozgur;Balkaya, Melike;Didinen, Behire Isil;Didinen, Hakan;Ozmen, Ozlem. And the article was included in Aquaculture Research in 2022.COA of Formula: C8H16O This article mentions the following:

In this study, anesthetic effects of cumin and lavender essential oils by comparing with clove oil were determined on common carp. Fish (mean weight of 10 g) were exposed to nine concentrations of essential oils (5-500 mg L-1). Anesthesia induction, recovery times and mean LD of essential oils (10 min LC50 concentration) were evaluated sep. for each fish. In addition, histopathol. effects of essential oils on the fish tissues including hepatopancreas, gill and skin were investigated. The results showed that when the dose of essential oils increased, the time to anesthesia induction was shortened and the time to recovery from anesthesia was prolonged. Cumin essential oil at 300 mg L-1 dose and lavender oil at 400 mg L-1 dose on common carp showed similar anesthetic effects (sedative and deep anesthesia) to clove oil (p > .05). At these concentrations, sedative (Stage 2) and deep anesthesia (Stage 4) induction times were 105 and 187.5 s for cumin and 94 and 194 s for lavender resp. Recovery times at these concentrations were 415 s for cumin and 477.5 s for lavender. Mean LD of essential oils for carp were found as 450 mg L-1 for cumin oil and 500 mg L-1 for lavender oil. Histopathol. examination revealed no lesion in gill, skin and hepatopancreas in essential oils group. In the light of these findings, it was determined that lavender and cumin oils can be used as effective and safe anesthetic in common carp. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4COA of Formula: C8H16O).

Oct-1-en-3-ol (cas: 3391-86-4) 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. 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: C8H16O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

CAESAR models for developmental toxicity was written by Cassano, Antonio;Manganaro, Alberto;Martin, Todd;Young, Douglas;Piclin, Nadege;Pintore, Marco;Bigoni, Davide;Benfenati, Emilio. And the article was included in Chemistry Central Journal in 2010.Synthetic Route of C10H22O3 This article mentions the following:

Background: The new REACH legislation requires assessment of a large number of chems. in the European market for several endpoints. Developmental toxicity is one of the most difficult endpoints to assess, on account of the complexity, length and costs of experiments Following the encouragement of QSAR (in silico) methods provided in the REACH itself, the CAESAR project has developed several models. Results: Two QSAR models for developmental toxicity have been developed, using different statistical/math. methods. Both models performed well. The first makes a classification based on a random forest algorithm, while the second is based on an adaptive fuzzy partition algorithm. The first model has been implemented and inserted into the CAESAR online application, which is java-based software that allows everyone to freely use the models. Conclusions: The CAESAR QSAR models have been developed with the aim to minimize false negatives in order to make them more usable for REACH. The CAESAR online application ensures that both industry and regulators can easily access and use the developmental toxicity model (as well as the models for the other four endpoints). In the experiment, the researchers used many compounds, for example, rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6Synthetic Route of C10H22O3).

rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Synthetic Route of C10H22O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Optimization of the procedure for the synthesis of calcium lactate pentahydrate in laboratory and semi-industrial conditions was written by Uscumlic, Gordana S.;Trisovic, Nemanja P.;Dordevic, Irena N.;Valentic, Natasa V.;Petrovic, Slobodan D.. And the article was included in Hemijska Industrija in 2009.COA of Formula: C6H20CaO11 This article mentions the following:

This paper is concerned on the development of the optimal laboratory procedure for the synthesis of calcium lactate pentahydrate and the application of obtained results in a project for a semi-industrial installation for its production Calcium lactate is used as an additive in numerous food and pharmaceutical products. Basically, it has to satisfy quality requirements. That was the reason why the procedure for its synthesis had to be optimized in aspects of selection of reactants, their molar ratio, necessary laboratory equipment, reactant addition order, working temperature, isolation of final product from the reaction mixture, yield and product quality. A semi-industrial installation for the production of calcium lactate pentahydrate is projected on the basis of the results of this investigtion. The imprtance of this investigation arises from the fact that this salt is not produced in Serbia and the complete quantity (about 20 t per yr) is imported. In the experiment, the researchers used many compounds, for example, Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5COA of Formula: C6H20CaO11).

Calcium 2-hydroxypropanoate pentahydrate (cas: 5743-47-5) 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.COA of Formula: C6H20CaO11

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

A novel salting-out extraction system for determination of ethylene glycol and diethylene glycol in liquid samples followed by GC-FID was written by Wan, Fu;Liu, Shuping;Wang, Li;Si, Shihui. And the article was included in Microchemical Journal in 2022.Recommanded Product: 2,2′-Oxybis(ethan-1-ol) This article mentions the following:

In this work, a new high-efficient salting-out agent, potassium tripolyphosphate, assisted liquid-liquid extraction (SALLE) sample preparation method for the determination of the polar ethylene glycol and diethylene glycol in liquid samples (food stimulants and liquid foods) were developed. To obtain satisfactory extraction efficiencies for the studied analytes, several parameters affecting the SALLE procedure were optimized. The effects of type of salting-out reagent, type of extraction solvent, volumes of ethanol, amount of potassium triphosphate, vortexing and standing times on the extraction efficiency were investigated. Anal. performances of the method were satisfactory, showed good linearity in the selected range (R²>0.9998), limits of detection (LOD) were 0.2 mg·L^-1 in all cases. Average recoveries in the ranges of 81.2-109.3% (RSD, 0.03-7.0%) for EG, 88.1 ∼ 109.1% (RSD, 0.1-8.6%) for DEG were obtained. In relation to the green and low solvent consumption, the proposed methodol. could be considered rapid and environment friendly. The developed method can be used not only for the determination of ethylene glycol and diethylene glycol in food simulation solution, but also for liquid foods with obtaining acceptable results. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Recommanded Product: 2,2′-Oxybis(ethan-1-ol)).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) 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. 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: 2,2′-Oxybis(ethan-1-ol)

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Helicates, boxes, and polymers from simple pyridine-alcohol ligands: the impact of the identity of the transition metal ion was written by Telfer, Shane G.;Parker, Nyree D.;Kuroda, Reiko;Harada, Takunori;Lefebvre, Julie;Leznoff, Daniel B.. And the article was included in Inorganic Chemistry in 2008.Category: alcohols-buliding-blocks This article mentions the following:

The coordination chem. of 6-methylpyridine-2-methanol (1) and enantiopure (R)-1-(6-methylpyridin-2-yl)ethanol (2) with a range of divalent 1st-row transition metal salts was studied in an effort to determine whether H-bonded helicates will form, as observed for Co(II) salts. H-bonded helicates, [Cu₂(1)₂(1-H)₂X₂] (X = Cl, Br), were only observed upon combining 1 with CuCl₂ and CuBr₂ in MeOH solution Other metal salts led to alternative products, viz. Cu(ClO₄)₂ in the presence of base gives [Cu₂(1)₂(1-H)₂](ClO₄)₂, ZnCl₂ and ZnBr₂ give the 1-dimensional helical coordination polymers [Zn(1-H)Cl]_∞ and [Zn(1-H)Br]_∞, a mixture of NiCl₂ and Ni(OAc)₂ produces the [Ni₄(1-H)₄Cl₂(OAc)₂(MeOH)₂] cubane, NiCl₂ leads to the [Ni₄(1-H)₄Cl₄(MeOH)₄] cubane, while MnCl₂ gives the known cubane [Mn₄(1-H)₆Cl₄]. The reaction of 2 with CuCl₂ produces the mononuclear complex Λ-[Cu(2)₂Cl]Cl, while reaction with CuBr₂ leads to a dimer, Λ,Λ-[Cu₂(2)₃(2-H)Br₂]Br, which is held together by a single H bond between the monomeric subunits. The solid-state CD spectra of these latter complexes were recorded and are very similar. The temperature-dependent magnetic behavior of [Cu₂(1)₂(1-H)₂X₂] (X = Cl, Br), [Cu₂(1)₂(1-H)₂](ClO₄)₂, [Cu₂(2)₃(2-H)Br₂]Br, and [Ni₄(1-H)₄Cl₂(OAc)₂(MeOH)₂] was studied. Weak antiferromagnetic coupling between the Cu(II) centers is mediated by the H bonds in the [Cu₂(1)₂(1-H)₂X₂] (X = Cl, Br) complexes. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Category: alcohols-buliding-blocks).

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. 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

New insights on the effects of in-pond raceway aquaculture system (IRAS) with dietary rhubarb extracts on the fresh meat quality of Megalobrama amblycephala was written by Lin, Yan;Miao, Linghong;Sun, Cunxin;Jiang, Wenqiang;Zhou, Qunlan;Liu, Bo;Ge, Xianping. And the article was included in Aquaculture in 2022.Safety of Oct-1-en-3-ol This article mentions the following:

Numerous studies have shown that in-pond raceway aquaculture system (IRAS) is the future of industrialized and large-scale pond culture, and rhubarb extracts have been proved to improve immunity, resist stress and regulate lipid metabolism This study sought to investigate the difference between the IRAS (7.0 kg/m3) and traditional pond (0.52 kg/m3) in the fresh meat quality of Megalobrama amblycephala, and further the role of dietary rhubarb extracts on fish in IRAS. M. amblycephala (220-250 g) were raised in three different conditions: IRAS group: IRAS (7.0 kg/m3) culture fed with a normal formulated diet, IRAS-R group: IRAS (7.0 kg/m3) culture fed with a functional diet containing 0.05% rhubarb extracts, TP-R group: traditional pond (0.52 kg/m3) culture fed a functional diet containing 0.05% rhubarb extracts The fresh meat quality indicators were analyzed after four months of breeding. The electronic nose analyses elucidated differences in the odor of the raw fish from the three examined groups. Specifically, out of the 68 volatile flavor compounds identified in the three groups (including ketones, aldehydes, acids, alkanes, and alcs.), 41 were detected in the TP-R group, 44 in the IRAS-R group, and 54 in the IRAS group. The aldehydes were the main contributor to fishy odor in the fresh meat of M. amblycephala, and the main aldehyde in three groups was hexanal, the contents were all higher than 8500μg/kg. IRAS-R group resulted in a significant increase in ketones compared to TP-R group (1322.28μg/kg) and IRAS group (1228.36μg/kg), reaching a total content of 2997.44μg/kg, which was mainly composed of 2,3-octanedione, 2,3-pentanedione, 3,5-octadien-2-one, non-3,5-dien-2-one, and 3-octen-2-one. IRAS improved the shear force, total amino acids, essential amino-acid, adenosine monophosphate (AMP), hypoxanthine ribonucleoside (HxR), and decreased the crude lipid, saturated fatty acid, guanosine monophosphate (GMP) of M. amblycephala meat compared with traditional pond (P < 0.05). IRAS with dietary rhubarb extracts further enhance shear force, and the content of delicious amino acids, unsaturated fatty acids (UFAs), ω-3 unsaturated fatty acids (e.g., EPA + DHA), ω-6 unsaturated fatty acids, and UFA/SFA (unsaturated fatty acids/saturated fatty acids) ratios compared with IRAS group(P < 0.05). Therefore, this study provides important insights into the effects of IRAS and rhubarb extracts on fish meat quality and establishes a methodol. framework for the evaluation of how different culture systems and plant-based supplements affect muscle characteristics. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Safety of Oct-1-en-3-ol).

Oct-1-en-3-ol (cas: 3391-86-4) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Safety of Oct-1-en-3-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ni-catalyzed Reductive Deaminative Arylation at sp³ Carbon Centers was written by Martin-Montero, Raul;Yatham, Veera Reddy;Yin, Hongfei;Davies, Jacob;Martin, Ruben. And the article was included in Organic Letters in 2019.Application of 68716-49-4 This article mentions the following:

A Ni-catalyzed reductive deaminative arylation at unactivated sp³ carbon centers is described. This operationally simple and user-friendly protocol exhibits excellent chemoselectivity profile and broad substrate scope, thus complementing existing metal-catalyzed cross-coupling reactions to forge sp³ C-C linkages. These virtues have been assessed in the context of late-stage functionalization, hence providing a strategic advantage to reliably generate structure diversity with amine-containing drugs. In the experiment, the researchers used many compounds, for example, 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4Application of 68716-49-4).

2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 68716-49-4) 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. 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.Application of 68716-49-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Experimental study on the discharge characteristics of two eutectic solder packed bed latent heat storage systems was written by Mawire, Ashmore;Ekwomadu, Chidiebere;Lefenya, Tlotlo;Shobo, Adedamola. And the article was included in International Journal of Energy Research in 2022.Computed Properties of C4H10O4 This article mentions the following:

Metallic solder based PCMs possess higher thermal conductivities, larger storage masses and exhibit lower subcooling effects compared to their organic or inorganic counterparts. It is thus justified to investigate their potential usage for medium temperature applications. These solders are relatively expensive and can be combined with cheaper PCMs in cascaded storage systems which are more thermodynamically efficient compared to single PCM systems as reported recently. The aim of the research is thus to compare two packed bed storage systems during discharging cycles using eutectic solder (Sn63/Pb37), that is widely available worldwide. The single PCM system (40 capsules) consists of encapsulated spheres of eutectic solder, whereas the second cascaded system consists of encapsulated spheres of eutectic solder and erythritol in an equal storage ratio in the tank. For the cascaded system, the eutectic solder capsules are placed at the top and erythritol at the bottom of the storage tank (20 capsules at the top and 20 at the bottom). The effect of the discharging flow-rates of 4 mL/s, 6 mL/s and 8 mL/s is investigated in relation to the temperature profiles, energy rates and exergy rates. Increasing the flow-rate, increases heat transfer rate thus shortening the discharging time as well as increasing thermal profile reversals during discharging. The peak energy and exergy rates increase with the increase in the flow-rate for the two storage systems. The single PCM system shows slightly higher average energy and exergy rates compared to the cascaded system possibly due to its higher thermal conductivity The cascaded PCM system shows higher average stratification numbers at all the flow rates considered. The non-cascaded system exhibited slightly higher exergy recovery efficiencies compared to the cascaded PCM system possibly due to its higher thermal conductivity at all flow-rates considered. The effect of the initial discharging temperature is also investigated with a discharging flow-rate of 6 mL/s after charging with set heater temperatures of 260°C, 280°C and 300°C, resp. Comparable thermal profiles are seen for both systems for the three set temperatures; however, the single PCM system shows slightly higher storage temperatures The single PCM shows slightly higher but comparable peak and average discharging energy rates compared to the cascaded system. The exergy rates for the two systems are also comparable. However, the cascaded system shows slightly higher exergy rate values for the lowest set temperature whereas the single PCM system shows slightly higher exergy rate values for the other two set temperatures Energy and exergy rates are almost independent of the initial storage tank temperatures induced by different set charging temperatures The average stratification number shows no correlation with set temperature for both storage systems. The cascaded system shows slightly higher average stratification numbers at different set temperatures Exergy recovery efficiencies for different set heater temperatures are comparable for the two storage systems and vary only marginally with the increase in the set temperature Overall, the effect of the flow-rate is more pronounced than the effect of the set heater temperature In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Computed Properties of C4H10O4).

(2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6) 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. 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.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts