Month: January 2023

Modified graphite filled natural rubber composites with good thermal conductivity was written by Song, Junping;Ma, Lianxiang;He, Yan;Yan, Haiquan;Wu, Zan;Li, Wei. And the article was included in Chinese Journal of Chemical Engineering in 2015.Computed Properties of C10H14O5 This article mentions the following:

The rubber composites with good thermal conductivity contribute to heat dissipation of tires. Graphite filled natural rubber composites were developed in this study to provide good thermal conductivity Graphite was coated with polyacrylate polymerized by monomers including Me methacrylate, Bu acrylate and acrylic acid. The ratios between a filler and acrylate polymerization emulsion and those between monomers were varied. Eight types of surface modification formulas were exptl. studied. Modification formula can affect coating results and composite properties greatly. The best coating type was achieved by a ratio of 1:1 between Me methacrylate and Bu acrylate. The coating of graphite was thermally stable in a running tire. Filled with modified graphite, the tire thermal conductivity reached up to 0.517-0.569 W · m^-1 · K^-1. In addition, the mech. performance was improved with increased crosslink d., extended scorch time and short vulcanization time. In the experiment, the researchers used many compounds, for example, Diethyleneglycoldiacrylate (cas: 4074-88-8Computed Properties of C10H14O5).

Diethyleneglycoldiacrylate (cas: 4074-88-8) 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.Computed Properties of C10H14O5

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The nuclear magnetic resonance spectra of pyridine derivatives was written by Bruegel, W.. And the article was included in Zeitschrift fuer Elektrochemie und Angewandte Physikalische Chemie in 1962.Computed Properties of C7H9NO This article mentions the following:

The spectra of 154 pyridine derivatives were examined at 40 or 60 Mc. Liquids were run pure; solids were dissolved in Me₂SO, which caused a small upfield shift in chem. shifts, but had little or no effect on the coupling constants Spectra were analyzed for chem. shifts and coupling constants The compounds studied contained 1, 2, or 3 substituents. With the exception of strong electron donors in the 3 position, substituents had little effect on coupling constants The effect of such groups as NH₂ or COR in the 3 position was attributed to resonance of such groups with the ring. The ranges observed for the various coupling constants are as follows: J₂₃, 4.8-5.5; J₂₄, 0-2.5; J₂₅, 0-1.4; J₂₆, 0-0.6; J₃₄, 7.2-9.1; J₃₅, 0.5-1.8; J₃₆, 0.4-2.3; J₄₅, 6.8-8.8; J₄₆, 1.0-2.5; J₅₆, 4.0-5.5. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Computed Properties of C7H9NO).

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.Computed Properties of C7H9NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Drug-induced diabetes type 2: In silico study involving class B GPCRs was written by Latek, Dorota;Rutkowska, Ewelina;Niewieczerzal, Szymon;Cielecka-Piontek, Judyta. And the article was included in PLoS One in 2019.Application In Synthesis of (Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol This article mentions the following:

A disturbance of glucose homeostasis leading to type 2 diabetes mellitus (T2DM) is one of the severe side effects that may occur during a prolonged use of many drugs currently available on the market. In this manuscript we describe the most common cases of drug-induced T2DM, discuss available pharmacotherapies and propose new ones. Among various pharmacotherapies of T2DM, incretin therapies have recently focused attention due to the newly determined crystal structure of incretin hormone receptor GLP1R. Incretin hormone receptors: GLP1R and GIPR together with the glucagon receptor GCGR regulate food intake and insulin and glucose secretion. Our study showed that incretin hormone receptors, named also gut hormone receptors as they are expressed in the gastrointestinal tract, could potentially act as unintended targets (off-targets) for orally administrated drugs. Such off-target interactions, depending on their effect on the receptor (stimulation or inhibition), could be beneficial, like in the case of incretin mimetics, or unwanted if they cause, e.g., decreased insulin secretion. In this in silico study we examined which well-known pharmaceuticals could potentially interact with gut hormone receptors in the off-target way. We observed that drugs with the strongest binding affinity for gut hormone receptors were also reported in the medical information resources as the least disturbing the glucose homeostasis among all drugs in their class. We suggested that those strongly binding mols. could potentially stimulate GIPR and GLP1R and/or inhibit GCGR which could lead to increased insulin secretion and decreased hepatic glucose production Such pos. effect on the glucose homeostasis could compensate for other, adverse effects of pharmacotherapy which lead to drug-induced T2DM. In addition, we also described several top hits as potential substitutes of peptidic incretin mimetics which were discovered in the drug repositioning screen using gut hormone receptors structures against the ZINC15 compounds subset. 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: 128607-22-7Application In Synthesis of (Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol).

(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. 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 (Z)-2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)ethan-1-ol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Radical cascade synthesis of azoles via tandem hydrogen atom transfer was written by Chen, Andrew D.;Herbort, James H.;Wappes, Ethan A.;Nakafuku, Kohki M.;Mustafa, Darsheed N.;Nagib, David A.. And the article was included in Chemical Science.Application In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol This article mentions the following:

A radical cascade strategy for the modular synthesis of five-membered heteroarenes (e.g. oxazoles, imidazoles) I (R¹ = Ph, 4-MeOC₆H₄, 4-F₃C₆H₄, 2-naphthyl, biphenyl-4-yl, etc.; R² = Ph, 2-pyridinyl, 4-IC₆H₄, 3-MeC₆H₄, etc.), II (R³ = 4-F₃CC₆H₄, CCl₃) from feedstock reagents (e.g. alcs., (R²CH₂CH₂OH), amines (such as., benzylamine, morpholine, pyrrolidine), nitriles R¹CN) has been developed. This double C-H oxidation is enabled by in situ generated imidate R¹C(=N)OCH₂CH₂R² and acyloxy radicals, which afford regio- and chemo-selective β C-H bis-functionalization. The broad synthetic utility of this tandem hydrogen atom transfer (HAT) approach to access azoles is included, along with experiments and computations that provide insight into the selectivity and mechanism of both HAT events. In the experiment, the researchers used many compounds, for example, 2-(Trifluoromethyl)phenethyl alcohol (cas: 94022-96-5Application In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol).

2-(Trifluoromethyl)phenethyl alcohol (cas: 94022-96-5) 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. 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 In Synthesis of 2-(Trifluoromethyl)phenethyl alcohol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Screening and preservation application of quorum sensing inhibitors of Pseudomonas fluorescens and Shewanella baltica in seafood products was written by Wang, Yanbo;Wang, Yongzheng;Chen, Jian;Koseki, Shigenobu;Yang, Qing;Yu, Hejun;Fu, Linglin. And the article was included in LWT–Food Science and Technology in 2021.Category: alcohols-buliding-blocks This article mentions the following:

Pseudomonas fluorescens and Shewanella baltica are specific spoilage organisms (SSOs) of most seafood products. Both of them can cell-to-cell communicate through quorum sensing (QS), facilitating the spoilage activities such as protease secretion, flagellar movement, and biofilm formation. Thus, it is important to screen the quorum sensing inhibitors (QSI) of P. fluorescens and S. baltica. In this study, we tried to apply a high-throughput virtual screening technol. to select QSIs candidates. Three amino acid sequences from the key QS regulator-LuxR/I family (the LuxR and LuxI proteins of P. fluorescens, and the LuxR of S. baltica) were targeted and analyzed. Their 3D structures were subsequently constructed for the QSIs candidates’ screen of both P. fluorescens and S. baltica. The candidates of cytidine-5′-monophosphate (5′-CMP) and 5′-adenylic acid (5′-AMP) with high scores exerted strong antagonistic effects against both P. fluorescens and S. baltica QS. The addition of 5′-CMP and 5′-AMP also inhibit QS-controlled phenotypes (swimming motility, protease activity, EPS, and biofilm formation) in P. fluorescens and S. baltica. Furthermore, the exogenous addition of 5′-CMP and 5′-AMP could retard the spoilage process of salmon slices during low-temperature storage by inhibiting the production of extracellular protease, siderophores, and Total Volatile Basic Nitrogen (TVB-N). 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. 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Reaction of aliphatic diazo compounds with unsaturated compounds. XXIV. Reaction of diazoacetic ester with 5-decyne and 4-octyne. Effect of the nature and amount of the catalyst on orientation of the reaction was written by Komendantov, M. I.;D’yakonov, I. A.;Gokhmanova, I.;Kostikov, R. R.. And the article was included in Zhurnal Organicheskoi Khimii in 1965.SDS of cas: 1634-34-0 This article mentions the following:

5-Decyne (30 g.) and 0.05 g. CuSO₄ was treated at 90° with 12 g. EtO₂CCHN₂ over 3 hrs. and gave 12% di-Et fumarate and 39.1% Et 1,2-dibutylcyclopropene-3-carboxylate (I), b₃ 89-90°, d₂₀ 0.8965, ν²⁰_D 1.44523, n²⁰_D 1.44786, n²⁰_F 1.45424. The yield of I rose to 43% with Bz₂O₂ catalyst, but the mixture required 2-3 hrs. addnl. heating; Cu gave 35.7% yield, CuO 10%, Cu(OAc)₂, CUCl, Cu stearate and Cu(NO₃)₂ were ineffective; without the catalyst, the yield was 19.3%. For best yield (51.6%) the CuSO₄ catalyst must comprise 2.15 moles per 1000 moles of 5-decyne. I heated 8 hrs. with MeONaMeOH gave 83% 1,2-dibutyl-1(2)-cyclopropene-3-carboxylic acid, b₃ 121-2°, 0.9329, 1.45842, 1.46120, 1.46808 (oxidized with KMnO₄ it gave divalerylmethane, b₅ 97-8°). When the condensation with 5-decyne was run with 2.91 moles CuSO₄ per 1000 moles alkyne, the reaction gave up to 83.8% 2,3-dibutyl-5-ethoxyfuran (II), b₃ 104-5°, 0.9113, 1.45599, 1.45894, 1.46624, which with maleic anhydride in 0.5 hr. at 100° gave 2,5-endoxo-1,2-dibutyl-5-ethoxy-6-cyclohexene-3,4-dicarboxylic anhydride, m. 146-8°, or 1,2-dibutyl-5-ethoxybenzene-3,4-dicarboxylic anhydride, m. 107-8°, depending on the reactant ratio. II treated with O in heptane at room temperature gave after warming with H₂O 2 hrs. 56.2% Et 3-butyl-2-octen-4-on-1-oate, b_0.3 97-9°, d₂₀ 0.9746, n²⁰_D 1.4638, which with MeOH-KOH 2 hrs. gave the free acid (III), b_0.3 123-4°, 0.9936, 1.4625. II and aqueous alc. HCl 2 hrs. under N gave 70.4% 2.3-dibutyl-2,5-dihydro-5-furanone, b_0.3 96-8°, 0.9556, 1.4662, which in 30% KOH in MeOH 1 hr. gave 3-butyl-4-octanon-1-oic acid, b_0.3 121-2°, 0.9745, 1.4498 (semicarbazone m. 154-5°), also formed by hydrogenation of III over Pd-CaCO₃ in EtOH. EtO₂CCHN₂ and 4-octyne, as above with CuSO₄, gave up to 42% Et 1,2-dipropyl-1(2)-cyclopropene-3-carboxylate, b₃ 78-9°, 0.9053, n²⁰_D 1.44253, n²⁰_D 1.44513, n²⁰_F 1.45160; with Cu catalyst the yield was 51%, while without a catalyst at 135-40° the reaction gave 23.3% yield. The ester was saponified with MeONa-MeOH to the free acid, b₁ 92-3°, 0.9636, 1.45951, 1.46249, 1.46990 (oxidized with KMnO₄ it gave dibutyrylmethane). With larger amount CuSO₄ catalyst there was obtained some di-Et fumarate and 53.3% 2,3-dipropyl-5-ethoxyfuran, b₅ 86-7°, 0.92528, 1.45588, 1.45900, 1.46646. This and maleic anhydride gave 1,2-dipropyl-5-ethoxybeuzene-3,4-dicarboxylic anhydride, m. 133-4°. In the experiment, the researchers used many compounds, for example, 2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0SDS of cas: 1634-34-0).

2′,6′-Dihydroxy-4′-methylacetophenone (cas: 1634-34-0) 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.SDS of cas: 1634-34-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study was written by Grau, Benedikt W.;Boenisch, Simon;Neuhauser, Alexander;Hampel, Frank;Goerling, Andreas;Tsogoeva, Svetlana B.. And the article was included in ChemCatChem in 2019.Related Products of 2968-93-6 This article mentions the following:

A straightforward and sustainable synthesis of highly functionalized ortho-terphenyls I (R = CN, ethoxycarbonyl; R¹ = H, F, OMe, Me, etc.; Ar = Ph, furan-3-y, 4-(diphenylamino)phenyl, etc.) via joining an organocatalyzed two-step domino reaction (Knoevenagel/vinylogous Michael) with a DABCO/CuBr₂ co-catalyzed three-step domino reaction (cyclization/tautomerization/aromatization) in a one-pot process was demonstrated. Overcoming necessity to isolate intermediate products leads to a reduction of energy, costs and waste for a broad scope of reactions. DFT calculations have been performed to investigate the thermodn. of this one-pot process towards ortho-terphenyls I and to study the reaction profile of the vinylogous Michael reaction under inclusion of solvent effects. Role of London dispersion forces in this transformation has been elucidated. It is shown that reaction kinetics and thermodn. are slightly influenced by dispersion interactions. Furthermore, the addition of dispersion energy donors leads to small changes of reaction energies in some cases. In the experiment, the researchers used many compounds, for example, 2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6Related Products of 2968-93-6).

2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6) 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.Related Products of 2968-93-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis and Investigation of Chiral Poly(2,4-disubstituted-2-oxazoline)-Based Triblock Copolymers, Their Self-Assembly, and Formulation with Chiral and Achiral Drugs was written by Yang, Mengshi;Haider, Malik Salman;Forster, Stefan;Hu, Chen;Luxenhofer, Robert. And the article was included in Macromolecules (Washington, DC, United States).Electric Literature of C4H11NO This article mentions the following:

Considering the largely chiral nature of biol. systems, there is interest in chiral drug delivery systems. Here, we investigate for the first time polymer micelles based on poly(2-oxazoline)s (POx) ABA-type triblock copolymers with chiral and racemic hydrophobic blocks for the formulation of chiral and achiral drugs. Specifically, poly(2-ethyl-4-ethyl-2-oxazoline) (pEtEtOx) and poly(2-propyl-4-methyl-2-oxazoline) (pPrMeOx) were used as hydrophobic block B and poly(2-methyl-2-oxazoline) (pMeOx) as hydrophilic block A. Using these triblock copolymers, nanoformulations of curcumin (CUR), paclitaxel (PTX) as well as chiral (R and S) and racemic ibuprofen were prepared For CUR and PTX, the maximum drug loading dependent significantly on the structure of the hydrophobic repeat units, but not the chirality. In contrast, the maximum drug loading with chiral/racemic ibuprofen was neither affected by the polymer structure nor by chirality, but minor effects were observed with respect to the size and size distribution of the drug loaded micelles. In the experiment, the researchers used many compounds, for example, (R)-2-Aminobutan-1-ol (cas: 5856-63-3Electric Literature of C4H11NO).

(R)-2-Aminobutan-1-ol (cas: 5856-63-3) 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. 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 C4H11NO

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Transformations of P-chalcogenide precursors with a hydrated metal salt was written by Shi, Weifeng;Kelting, Rebecca;Shafaei-Fallah, Maryam;Rothenberger, Alexander. And the article was included in Journal of Organometallic Chemistry in 2007.Quality Control of Sodium 2-methyl-2-propanethiolate This article mentions the following:

The preparation, characterization and x-ray structures of the three Ni(II) complexes [Ni{ArP(OH)S₂}₂(THF)₂] (1) (Ar = 4-anisyl), [Ni{PhP(OH)Se₂}₂(THF)₂] (2) and [Ni{P(OH)₂S₂}₂(THF)₄] (3) are reported. The crystal structures of 1–3 were determined In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Quality Control of Sodium 2-methyl-2-propanethiolate).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) 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. 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.Quality Control of Sodium 2-methyl-2-propanethiolate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Gold-Catalyzed Cyclization of Ynones Involving cis-Hydrofunctionalizations: Rapid Assembly of C-, O-, or S-Functionalized Pyrroles by a Single Methodology was written by Pei, Miaomiao;Wang, Ali;Xie, Xin;Hu, Xiaoping;Liu, Yuanhong. And the article was included in Organic Letters in 2022.Synthetic Route of C10H20O This article mentions the following:

A gold-catalyzed cyclization of conjugated ynones with various nucleophiles such as indoles, alcs. and thiols was developed. The reaction provided a new and efficient protocol for the synthesis of functionalized pyrroles with wide versatility and functional group compatibility. Remarkably, indolyl, alkoxy or sulfenyl pyrroles, all could be constructed efficiently by this single methodol. In addition, cis-hydrofunctionalizations of ynones were involved in these reactions. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Synthetic Route of C10H20O).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Synthetic Route of C10H20O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts