Tag: 100-200

Investigation of volatile flavor compounds and characterization of aroma-active compounds of water-boiled salted duck using GC-MS-O, GC-IMS, and E-nose was written by Li, Cong;Al-Dalali, Sam;Wang, Zhouping;Xu, Baocai;Zhou, Hui. And the article was included in Food Chemistry in 2022.Electric Literature of C8H16O This article mentions the following:

To clarify the characteristic aroma substances of water-boiled salted duck (WSD), headspace-gas chromatog.-mass spectrometry-olfactometry (HS-GC-MS-O), gas chromatog.-ion mobility spectrometry (GC-IMS) combined with an electronic nose (E-nose) were used to analyze the volatile flavor profile of three types of WSD (containing four samples). Thirty-one and fifty volatile flavor components were identified by GC-MS and GC-IMS, including aldehydes, alcs., esters, ketones, hydrocarbons, and others. The characteristic aroma compounds of WSD, including pentanal, hexanal, heptanal, octanal, nonanal, (E)-2-octenal, benzaldehyde, (E)-2-nonenal, decanal, 1-octen-3-ol, 1-octanol, 1-pentanol, Et acetate, D-limonene, and 2-pentylfuran, were confirmed by GC-O, odor activity values (OAVs), and aroma-recombination and omission experiments The aroma description of these aroma-active compounds can be divided into 6 categories, namely, “fruity”, “mushroom”, “fat”, “sweet”, “faint scent” and “potato, scorch” aromas. The difference between samples was mainly caused by the differential volatile compounds, followed by the identification method. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Electric Literature of C8H16O).

Oct-1-en-3-ol (cas: 3391-86-4) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Electric Literature of C8H16O

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Synthesis and Evaluation of 3,4-Dihydropyrimidin-2(1H)-ones as Sodium Iodide Symporter Inhibitors was written by Lacotte, Pierre;Puente, Celine;Ambroise, Yves. And the article was included in ChemMedChem in 2013.Product Details of 1122-71-0 This article mentions the following:

The sodium iodide symporter (NIS) is responsible for the accumulation of iodide in the thyroid gland. This transport process is involved in numerous thyroid dysfunction and is the basis for human contamination in the case of exposure to radioactive iodine species. 4-Aryl-3,4-dihydro-2(1H)-pyrimidinone derivatives were recently discovered by high-throughput screening as the first NIS inhibitors. Described herein are the synthesis and evaluation of 115 derivatives with structural modifications at five key positions on the pyrimidone core. This study provides extensive structure-activity relationships for this new class of inhibitors that will serve as a basis for further development of compounds with in vivo efficacy and adequate pharmacokinetic properties. In addition, the SAR investigation provided a more potent compound, which exhibits an IC₅₀ value of 3.2 n in a thyroid cell line (FRTL5, animal model, rat model). The title compounds thus formed included analogs and derivatives of 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-5-pyrimidinecarboxylic acid (4-methoxyphenyl)methyl ester (I), such as thiophene derivatives, pyridine derivatives, imidazole derivatives, naphthalene derivatives, etc. The synthesis of the target compounds was achieved using Meldrum’s acid, amines aldehydes and alcs. as simple starting materials. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Product Details of 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. 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.Product Details of 1122-71-0

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Alcohol – Wikipedia,
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Iron-Decorated, Guanidine Functionalized Metal-Organic Framework as a Non-heme Iron-Based Enzyme Mimic System for Catalytic Oxidation of Organic Substrates was written by Shaabani, Ahmad;Mohammadian, Reza;Farhid, Hassan;Karimi Alavijeh, Masoumeh;Amini, Mostafa M.. And the article was included in Catalysis Letters in 2019.COA of Formula: C7H6Cl2O This article mentions the following:

A novel porous functionalized metal-organic framework (MOF) as a non-heme iron-based enzyme mimic system was achieved via two-step post-synthetic modification of the MIL-101(Cr)-NH₂, and characterized by FT-IR, PXRD, TGA, SEM, EDS, CHN, BET surface area, and ICP-OES analyses. This new modified MOF (MIL-101(Cr)-guanidine-Fe) has been demonstrated to be a highly efficient, active, and reusable catalyst for oxidation of various organic substrates, including alcs., alkenes and alkyl arenes at room temperature using H₂O₂ as an oxidant. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8COA of Formula: C7H6Cl2O).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) 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. 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.COA of Formula: C7H6Cl2O

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Copper(II) complexes supported by 8-hydroxyquinoline-imine ligands: Synthesis, characterization and catalysis in aerobic alcohols oxidation was written by Gao, Tianye;Meng, Lizhen;Zeng, Guang;Hao, Zhiqiang;Han, Zhangang;Feng, Qi;Lin, Jin. And the article was included in Polyhedron in 2022.Computed Properties of C7H7ClO This article mentions the following:

Treatment of Cu(OAc)₂路4H₂O with 8-hydroxylquinoline-imine ligands [2-(ArN = H_c)-8-OH]C₉H₅N (Ar = 2,6-ⁱPr₂C₆H₃, L1H; Ar = 4-ClC₆H₄, L2H; Ar = 4-BrC₆H₄, L3H and Ar = 4-OMeC₆H₄, L4H) in refluxing EtOH gave the dual-ligand coordinated copper complexes [L₂Cu] (1a–1d) in good yields, resp. All the four Cu complexes were characterized by IR, EPR, elemental anal. and HR-MS. Furthermore, the mol. structures of 1a and 1d were further confirmed by x-ray crystallog. anal. These complexes displayed high catalytic activity and good selectivity for aerobic oxidation of primary and secondary alcs. in the presence of TEMPO (2,2,6,6-tetramethyl-1-piperidinyloxyl) as the co-catalyst. The yields of desired aldehydes are decent (up to 84%) and the corresponding yields of ketones are at 78-91%. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Computed Properties of C7H7ClO).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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. 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 C7H7ClO

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Alcohol – Wikipedia,
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Formation of secondary organic aerosol tracers from anthropogenic and biogenic volatile organic compounds under varied NO_x and oxidant conditions was written by Sato, Kei;Ikemori, Fumikazu;Ramasamy, Sathiyamurthi;Iijima, Akihiro;Kumagai, Kimiyo;Fushimi, Akihiro;Fujitani, Yuji;Chatani, Satoru;Tanabe, Kiyoshi;Takami, Akinori;Tago, Hiroshi;Saito, Yoshinori;Saito, Shinji;Hoshi, Junya;Morino, Yu. And the article was included in Atmospheric Environment: X in 2022.Computed Properties of C7H7NO4 This article mentions the following:

For source apportionment by tracer method of secondary organic aerosol (SOA), the ratios of aerosol tracer to total SOA mass (fSOA) were determined during the oxidation of toluene, naphthalene, 伪-pinene, and isoprene by a series of laboratory experiments Seven anthropogenic SOA tracers maintaining an aromatic ring structure, including 4-nitrophthalic acid and 3,5-dinitrosalicylic, were newly investigated as a chamber study together with 21 traditional aerosol tracers of anthropogenic and biogenic SOA. Experiments of the OH-initiated oxidation of anthropogenic VOCs were conducted as a function of the initial VOC/NOx ratio. No significant dependence on the VOC/NOx ratio was observed for the fSOA of 2,3-dihydroxy-4-oxopentanoic acid from toluene and phthalic acid from naphthalene, whereas the fSOA of nitroarom. compounds such as 5-nitrosalicylic acid, 3,5-dinitrosalicylic acid, and 4-nitrophthalic acid increased with decreasing VOC/NOx ratio. Among seven newly evaluated anthropogenic SOA tracers, we concluded that 3,5-dinitronsalicylic can be used as a toluene SOA tracer, whereas 4-nitrophthalic acid can be used as a naphthalene SOA tracer. Results of kinetic calculations suggest that naphthalene is a major source of 5-nitrosalicylic acid under urban and rural conditions of previous observation studies. The ozonolysis and NO₃-initiated oxidation of biogenic VOCs were investigated in addition to OH-initiated oxidation of biogenic VOCs. As for biogenic SOA tracers such as pinic acid and 2-methyltetrols, the fSOA value measured for the NO₃-intiated reaction was lower than that of the OH-initiated oxidation and the fSOA value measured for the ozonolysis was not necessarily close to that of the OH-initiated oxidation These results suggest that daytime and nighttime biogenic SOA formation events are interpreted by using different sets of the fSOA values. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9Computed Properties of C7H7NO4).

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. 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 C7H7NO4

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Alcohol – Wikipedia,
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Lewis base-catalyzed Mukaiyama-aldol reaction of trimethylsilyl enolates with aldehydes was written by Zhang, Xingxian;Shi, Junchen;Hu, Shenghui. And the article was included in Journal of Chemical Research in 2010.Related Products of 1122-71-0 This article mentions the following:

An efficient Mukaiyama-type aldol reaction of three silyl enolates, such as 1-[(trimethylsilyl)oxy]-1-methoxy-2-methyl-2-propene [i.e., [(1-methoxy-2-methyl-1-propen-1-yl)oxy]trimethylsilane], 1-phenyl-1-[(trimethylsilyl)oxy]ethene [i.e., [1-[(trimethylsilyl)oxy]ethenyl]silane] and 1,2-bis[(trimethylsilyl)oxy]cyclobutene with aryl aldehydes and 伪,尾-unsaturated aldehydes catalyzed by 5 mol% Lewis base catalyst (4-nitrophenoxy)magnesium iodide [i.e., 4-O₂NPhOMgI] in CH₂Cl₂ solvent is described. The reaction proceeds under mild reaction conditions and the synthesis of the target compounds was achieved in good yield. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Related Products of 1122-71-0).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) belongs to alcohols. The oxygen atom of the strongly polarized O鈥旽 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.Related Products of 1122-71-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Copper(II)-尾-cyclodextrin immobilized on graphitic carbon nitride nanosheets as a highly effective catalyst for tandem oxidative amidation of benzylic alcohols was written by Ghafuri, Hossein;Rashidizadeh, Afsaneh;Gorab, Mostafa Ghafori;Jafari, Ghazaleh. And the article was included in Scientific Reports in 2022.Recommanded Product: (4-Chlorophenyl)methanol This article mentions the following:

In this study, an efficient catalyst based on graphitic carbon nitride nanosheets (CN) and copper(II) supported 尾-cyclodextrin (尾CD/Cu(II)) was synthesized and used for tandem oxidative amidation of benzylic alcs. using amine hydrochloride salts to form aryl-amides R¹C(O)NR²R³ [R¹ = H, 4-Cl, 4-OMe, etc.; R² = H, Ph, Bn, etc.]. In this regard, CN was functionalized by 尾-CD/Cu(II) via 1,3-dibromopropane linker (CN-Pr-尾-CD/Cu(II)). The prepared catalyst was characterized using FT-IR, XRD, FE-SEM, EDS, TGA, ICP-OES, BET and TEM analyses. CN-Pr-尾-CD/Cu(II) could be recycled and reused five times without significant reduction in reaction efficiency. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Recommanded Product: (4-Chlorophenyl)methanol).

(4-Chlorophenyl)methanol (cas: 873-76-7) belongs to alcohols. A strong base can deprotonate an alcohol to yield an alkoxide ion (R鈥昈鈭?. 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.Recommanded Product: (4-Chlorophenyl)methanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Beneficial Effects of Carvacrol on In Vitro Models of Metabolically-Associated Liver Steatosis and Endothelial Dysfunction: A Role for Fatty Acids in Interfering with Carvacrol Binding to Serum Albumin. was written by Khalil, Mohamad;Serale, Nadia;Diab, Farah;Baldini, Francesca;Portincasa, Piero;Lupidi, Giulio;Vergani, Laura. And the article was included in Current medicinal chemistry in 2022.Quality Control of 5-Isopropyl-2-methylphenol This article mentions the following:

BACKGROUND: Carvacrol, a plant phenolic monoterpene, is largely employed as food additive and phytochemical. OBJECTIVE: We aimed to assess the lipid lowering and protective effects of carvacrol in vitro using cellular models of hepatic steatosis and endothelial dysfunction. We also investigated if and how the binding of carvacrol to albumin, the physiological transporter for small compounds in the blood, might be altered by the presence of high levels of fatty acids (FAs). METHODS: Hepatic FaO cells treated with exogenous FAs mimic hepatosteatosis; endothelial HECV cells exposed to hydrogen peroxide are a model of endothelial dysfunction. In these models, we measured spectrophotometrically lipid accumulation and release, lipoperoxidation, free radical production, and nitric oxide release before and after treatment with carvacrol. The carvacrol binding to albumin in the presence or absence of high levels of FAs was assessed by absorption and emission spectroscopies. RESULTS: Carvacrol counteracted lipid accumulation and oxidative stress in hepatocytes and protected endothelial cells from oxidative stress and dysfunction. Moreover, high levels of FAs reduced the binding of carvacrol to albumin. CONCLUSION: The results suggest the good potential of carvacrol in ameliorating dysfunction of hepatic and endothelial cells in vitro. High levels of circulating FAs might compete with carvacrol for binding to albumin thus influencing its transport and bio-distribution. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Quality Control of 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) 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 5-Isopropyl-2-methylphenol

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Alcohol – Wikipedia,
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Synthesis, in vitro and in silico studies on novel 3-aryloxymethyl-5-[(2-oxo-2-arylethyl)sulfanyl]-1,2,4-triazoles and their oxime derivatives as potent inhibitors of mPGES-1 was written by Erensoy, Gizem;Ding, Kai;Zhan, Chang-Guo;Ciftci, Gamze;Yelekci, Kemal;Duracik, Merve;Bingol Ozakpinar, Ozlem;Aydemir, Esra;Yilmaz, Zubeyde Nur;Sahin, Fikrettin;Kulabas, Necla;Tatar, Esra;Kucukguzel, Ilkay. And the article was included in Journal of Molecular Structure in 2023.Name: 5-Isopropyl-2-methylphenol This article mentions the following:

Human microsomal prostaglandin E synthase (mPGES)-1 is a glutathione-dependent membrane-bound enzyme which is involved in the terminal stage of prostaglandin E2 (PGE₂) synthesis. It has been well reported as a key target for the discovery of new anti-inflammatory and anti-cancer drugs. Specific inhibitors of mPGES-1 are anticipated to selectively restrain the generation of PGE₂ induced by the inflammatory stimuli, without obstructing of the regular biosynthesis of other homeostatic prostanoids. Therefore, the design of mPGES-1 inhibitors can represent a better choice to take control of PGE₂ associated diseases, compared with conventional non-steroidal anti-inflammatory drugs and cyclooxygenase (COX) inhibitors, which are known for their serious side effects. Although there is an intensive effort for the identification of mPGES-1 inhibitors, none of the unveiled mols. so far have reached the clin. market. Therefore, the development of novel mPGES-1 inhibitors with proper drug-like properties is still an unmet medical need. As a continuation of the research for the identification of new chemotypes which might inhibit this enzyme, the design and synthesis of 3-aryloxymethyl-5-[(2-oxo-2-arylethyl)sulfanyl]-1,2,4-triazoles I (R¹ = CH₃, C₂H₅; R² = H, Br, Cl, OCH₃, F; R³ = H, Cl) and their oxime derivatives IIas inhibitors of human mPGES-1 were reported. Twenty-four target compounds I and II were screened for their mPGES-1/COX-2 inhibitory activities as well as their cytotoxicity. Of these compounds, II (R¹ = Me, R² = Cl, R³ = H; R¹ = Me, R² = Br, R³ = H) showed potent mPGES-1 inhibition by IC₅₀ values of 0.224卤0.070 渭M and 1.08卤0.35 渭M, resp. These two compounds have also been observed to inhibit angiogenesis in matrigel tube formation assay with no toxicity toward HUVEC cells. In silico studies were also held to understand inhibition mechanisms of the most active compounds using mol. docking, mol. dynamics calculations and ADMET predictions. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Name: 5-Isopropyl-2-methylphenol).

5-Isopropyl-2-methylphenol (cas: 499-75-2) 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.Name: 5-Isopropyl-2-methylphenol

Referemce:
Alcohol – Wikipedia,
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Volatiles from the xylarialean fungus Hypoxylon invadens was written by Dickschat, Jeroen S.;Wang, Tao;Stadler, Marc. And the article was included in Beilstein Journal of Organic Chemistry in 2018.COA of Formula: C8H8O2 This article mentions the following:

The volatiles emitted by agar plate cultures of the xylarialean fungus Hypoxylon invadens were investigated by use of a closed loop stripping apparatus in combination with GC-MS. Several aromatic compounds were found that could only be identified by comparison to all possible constitutional isomers with different ring substitution patterns. For the set of identified compounds a plausible biosynthetic scheme was suggested that gives further support for the assigned structures. In the experiment, the researchers used many compounds, for example, 3-Hydroxy-5-methylbenzaldehyde (cas: 60549-26-0COA of Formula: C8H8O2).

3-Hydroxy-5-methylbenzaldehyde (cas: 60549-26-0) 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. 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.COA of Formula: C8H8O2

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts