Tag: 100-200

Valorisation of Roman chamomile (Chamaemelum nobile L.) herb by comprehensive evaluation of hydrodistilled aroma and residual non-volatile fractions was written by Baranauskiene, Renata;Venskutonis, Petras Rimantas;Ragazinskiene, Ona. And the article was included in Food Research International in 2022.Category: alcohols-buliding-blocks This article mentions the following:

Valorization of botanicals for the development of natural food-grade ingredients is an important task in terms of sustainability and processing waste reduction In this study, Roman chamomile (Chamaemelum nobile L.) herb was collected at six different vegetation phases in the period 26 May – 23 August 2019 and subjected to biorefining into the several valuable fractions. The yield of hydro-distilled essential oil (EO) was in the range of 0.22% (intensive vegetative growth) to 0.80% (full flowering). Angelic, isobutyric, butyric and methacrylic acid esters and some monoterpene and sesquiterpene derivatives were the major EO constituents: 3-methylpentyl angelate (20.11-27.56%), methallyl angelate (7.28-10.33%), isoamyl angelate (5.57-9.02%), iso-Bu angelate (4.84-6.79%), 2-methylbutyl angelate (3.11-6.32%), 3-methylamyl methacrylate (5.04-6.17%), 3-methylpentyl isobutyrate (4.29-6.64%), 3-methylamyl isobutyrate (4.29-6.64%), α-pinene (1.61-6.37%) and pinocarvone (1.46-4.67%). In order to valorize water soluble and solid EO distillation residues their antioxidant potential was evaluated by several in vitro assays: water extracts were considerably stronger antioxidants than acetone extracts isolated from the solid residues. Water extracts of the plants collected at flowering phases were the strongest antioxidants; their TPC, FRAP and ORAC values were up to 143.2 mg gallic acid equivalent/g, 650, and 5601 μmol TE/g dry extract, resp., while effective concentrations (EC50) of DPPH• and ABTS•+ scavenging, were down to 0.59 and 0.49 mg/mL, resp. Among 7 tentatively identified by UPLC/Q-TOF/MS phenolic constituents the intensity of mol. ion of 3,5-dicaffeoyl quinic acid was the largest. The results obtained may assist for developing flavorings, antioxidants and health beneficial preparations from C. nobile extracts In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2Category: alcohols-buliding-blocks).

5-Isopropyl-2-methylphenol (cas: 499-75-2) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Insight into aroma dynamic changes during the whole manufacturing process of chestnut-like aroma green tea by combining GC-E-Nose, GC-IMS, and GC x GC-TOFMS was written by Yang, Yanqin;Qian, Michael C.;Deng, Yuliang;Yuan, Haibo;Jiang, Yongwen. And the article was included in Food Chemistry in 2022.Formula: C8H16O This article mentions the following:

Processing is the crucial factor for green tea aroma quality. In this study, the aroma dynamic changes throughout the manufacturing process of chestnut-like aroma green tea were investigated with gas chromatog. electronic nose (GC-E-Nose), gas chromatog.-ion mobility spectrometry (GC-IMS), and comprehensive two-dimensional gas chromatog. coupled to time-of-flight mass spectrometry (GC x GC-TOFMS). GC-IMS identified 33 volatile compounds while GC x GC-TOFMS identified 211 volatile components. Drying exerted the greatest influence on the volatile components of chestnut-like aroma green tea, and promoted the generation of heterocyclic compounds and sulfur compounds which were commonly generated via the Maillard reaction during the roasting stage. A large number of heterocyclic compounds such as 1-methyl-1H-pyrrole, pyrrole, methylpyrazine, furfural, 2-ethyl-5-methylpyrazine, 1-ethyl-1H-pyrrole-2-carboxaldehyde, and 3-acetylpyrrole were newly formed during the drying process. This study also validated the suitability of GC-E-Nose combined with GC-IMS and GC x GC-TOFMS for tracking the changes in volatile components of green tea throughout the manufacturing process. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Formula: C8H16O).

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Screening on the use of Kluyveromyces marxianus CBS 6556 growing cells as enantioselective biocatalysts for ketone reductions was written by Vitale, Paola;Perna, Filippo Maria;Perrone, Maria Grazia;Scilimati, Antonio. And the article was included in Tetrahedron: Asymmetry in 2011.Reference of 171032-87-4 This article mentions the following:

The versatility of Kluyveromyces marxianus CBS 6556 growing cells in the enantioselective reduction of ketone functionalities to the corresponding alcs. was exploited. In particular, Me ketones were reduced to (S)-alcs. with ee’s of up to 96%. Longer chain alkyl ketones afforded, under the same exptl. condition, (R)-alcs. with an ee of up to 84%. Interestingly, carbon-carbon double and the triple bonds can also be reduced in the presence of Kluyveromyces marxianus CBS 6556 yeast. A cyclic ketone, such as 2-tetralone, was also quant. reduced to its corresponding (S)-alc. with ee = 76%. In the experiment, the researchers used many compounds, for example, (S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4Reference of 171032-87-4).

(S)-1-(2-Fluorophenyl)ethanol (cas: 171032-87-4) 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. 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 171032-87-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

How Does the Quality of Phospholipidosis Data Influence the Predictivity of Structural Alerts? was written by Przybylak, Katarzyna R.;Alzahrani, Abdullah Rzgallah;Cronin, Mark T. D.. And the article was included in Journal of Chemical Information and Modeling in 2014.COA of Formula: C10H22O3 This article mentions the following:

The ability of drugs to induce phospholipidosis (PLD) is linked directly to their mol. substructures: hydrophobic, cyclic moieties with hydrophilic, peripheral amine groups. These structural properties can be captured and coded into SMILES arbitrary target specification (SMARTS) patterns. Such structural alerts, which are capable of identifying potential PLD inducers, should ideally be developed on a relatively large but reliable data set. We had previously developed a model based on SMARTS patterns consisting of 32 structural fragments using information from 450 chems. In the present study, addnl. PLD structural alerts have been developed based on a newer and larger data set combining two data sets published recently by the United States Food and Drug Administration (US FDA). To assess the predictive performance of the updated SMARTS model, two publicly available data sets were considered. These data sets were constructed using different criteria and hence represent different standards for overall quality. In the first data set high quality was assured as all neg. chems. were confirmed by the gold standard method for the detection of PLD-transmission electron microscopy (EM). The second data set was constructed from seven previously published data sets and then curated by removing compounds where conflicting results were found for PLD activity. Evaluation of the updated SMARTS model showed a strong, pos. correlation between predictive performance of the alerts and the quality of the data set used for the assessment. The results of this study confirm the importance of using high quality data for modeling and evaluation, especially in the case of PLD, where species, tissue, and dose dependence of results are addnl. confounding factors. In the experiment, the researchers used many compounds, for example, rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6COA of Formula: C10H22O3).

rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6) 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.COA of Formula: C10H22O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Photocleavable Supramolecular Polysaccharide Nanoparticles for Targeted Drug Release in Cancer Cells was written by Liu, Jiang-Hua;Wu, Xianjing;Zhang, Ying-Ming;Liu, Yu. And the article was included in Asian Journal of Organic Chemistry in 2018.COA of Formula: C7H7NO4 This article mentions the following:

Photocontrolled, targeted and biocompatible supramol. nanoparticles were constructed through the host-guest interactions of 2-nitrobenzyl ester-linked β-cyclodextrin and adamantane-grafted hyaluronic acid (HA). In this system, we used HA and 2-nitrobenzyl ester as targeting and photoresponsive groups, resp. Moreover, the introduction of β-cyclodextrin further enhanced the biocompatibility of the supramol. nanoparticles. Benefiting from the light-responsive capability of a 2-nitrobenzyl ester moiety, the hydrophobic anticancer drug camptothecin was loaded in the internal hydrophobic microenvironment of the supramol. nanoparticle and could be specifically released in the cancer cells. These results demonstrated that supramol. polysaccharide drug nanocarriers with targeting ability and intelligent light-stimulus responsiveness may have excellent potential in the clin. cancer treatments. In the experiment, the researchers used many compounds, for example, 3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9COA of Formula: C7H7NO4).

3-(Hydroxymethyl)-4-nitrophenol (cas: 60463-12-9) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.COA of Formula: C7H7NO4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis and evaluation of arylalkoxy- and biarylalkoxy-phenylamide and phenylimidazoles as potent and selective sphingosine-1-phosphate receptor subtype-1 agonists was written by Evindar, Ghotas;Satz, Alexander L.;Bernier, Sylvie G.;Kavarana, Malcolm J.;Doyle, Elisabeth;Lorusso, Jeanine;Taghizadeh, Nazbeh;Halley, Keith;Hutchings, Amy;Kelley, Michael S.;Wright, Albion D.;Saha, Ashis K.;Hannig, Gerhard;Morgan, Barry A.;Westlin, William F.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2009.Electric Literature of C9H9F3O This article mentions the following:

In a search for potent and selective sphingosine-1-phosphate receptor agonists, the previously reported phenylamide and phenylimidazole scaffolds were utilized to explore extensive side-chain modifications to generate new mol. entities. A number of designed mols. demonstrated good selectivity and excellent in vitro and in vivo potency in both mouse and rat models. Oral administration of the lead mol. I (PPI-4667) demonstrated potent and dose-responsive lymphopenia. In the experiment, the researchers used many compounds, for example, 2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6Electric Literature of C9H9F3O).

2-(4-(Trifluoromethyl)phenyl)ethanol (cas: 2968-93-6) 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. 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.Electric Literature of C9H9F3O

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Benzosultam Synthesis by Gold(I)-Catalyzed Ammonium Formation/Nucleophilic Substitution was written by Pertschi, Romain;Weibel, Jean-Marc;Pale, Patrick;Blanc, Aurelien. And the article was included in Organic Letters in 2019.Application of 142253-56-3 This article mentions the following:

The synthesis of benzosultams was achieved through a gold(I)-catalyzed ammonium formation strategy. Starting from easily available N-(2-alkynyl)phenylsulfonyl azetidine derivatives, a cyclization reaction generated a spiroammonium gold intermediate that was ring-opened by nucleophilic alc. or indole. This new methodol. is compatible with the large variation in the substrates and nucleophiles and gave benzosultams in high yield (18-98%, 20 examples). This strategy also gave benzosultam analogs via iododeauration and subsequent cross-coupling reactions. In the experiment, the researchers used many compounds, for example, 1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3Application of 142253-56-3).

1-Boc-Azetidine-3-yl-methanol (cas: 142253-56-3) 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.Application of 142253-56-3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Chocolates with Brazilian cocoa: Tracking volatile compounds according to consumers’ preference was written by Cemin, Paloma;Reis Ribeiro, Stephanie;de Candido de Oliveira, Fernanda;Leal Leaes, Fernanda;Regina dos Santos Nunes, Marta;Wagner, Roger;Sant’Anna, Voltaire. And the article was included in Food Research International in 2022.Related Products of 3391-86-4 This article mentions the following:

This study aimed to evaluate the volatile compounds of chocolates made of Brazilian cocoas and statistically track them according to the products sensorial profile in order to relate them to consumers’ acceptance by preference map methodol. The intensity of the chocolate, acidity, woody, smoked, green, floral, burned, musty, and cocoa notes from chocolates produced with cocoa from different Brazilian states were analyzed by a trained panel and by 128 consumers. Samples from Cote dIvoire, which is known for its high-quality chocolate, were evaluated for comparison. Solid-phase microextraction headspace sampling/gas chromatog.-mass spectrometry was employed to evaluate the samples volatile compounds One hundred volatile compounds were identified within the samples. The results from the preference maps showed that the maximum preference was found for chocolate made of cocoa from Rondonia, Bahia, and Espirito Santo and Cote dIvoire and organic samples from Para. The ideal sample point was characterized by intense chocolate, floral, and woody notes and mild green and burned notes. The presence of furfural, 3-Me butanal, phenethyl acetate, 2-phenyl-5-methyl-2-hexenal, Me pyrazine, phenethyl acetate, 2-phenyl-5-methyl-2-hexenal, and tetra-Me pyrazine were shown to be important for consumer acceptance in the ideal product, whereas the presence of (Z)-2-heptenal and 2-pentyl furan may increase consumer rejection. 2,3-Me pyrazine, Me pyrazine, and 2,3-butanediol, which are important volatile compounds previously reported in the literature, were statistically tracked to both pos. and neg. sample attributes and must be better explored concerning consumers acceptance of chocolates. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Related Products of 3391-86-4).

Oct-1-en-3-ol (cas: 3391-86-4) 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. 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.Related Products of 3391-86-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis of cinnamic acid ester derivatives with antiproliferative and antimetastatic activities on murine melanoma cells was written by Vale, Juliana Alves do;Rodrigues, Michelle Peixoto;Lima, Angela Maria Almeida;Santiago, Samira Soares;Lima, Graziela Domingues de Almeida;Almeida, Alisson Andrade;Oliveira, Leandro Licursi de;Bressan, Gustavo Costa;Teixeira, Robson Ricardo;Machado-Neves, Mariana. And the article was included in Biomedicine & Pharmacotherapy in 2022.Application of 873-76-7 This article mentions the following:

The synthesis of seventeen compounds I [R = Bn, Ph, 4-ClC₆H₄CH₂, etc.] was derived from cinnamic acid and their bioactivity evaluation against melanoma cells. The compound Ph 2,3-dibromo-3-phenylpropanoate II was the most effective against murine B16-F10 cells, as observed in cytotoxicity and cell migration assays. Simultaneously, this compound showed low cytotoxic activity on non-tumor cells. At the highest concentration, the compound II was able to trigger apoptosis, whereas at lower concentrations, it affected the cell cycle and melanoma cell proliferation. Furthermore, cinnamate II impaired cell invasion, adhesion, colonization, and actin polymerization In conclusion, these results highlight the antiproliferative and antimetastatic potential of cinnamic acid derivatives on melanoma. In the experiment, the researchers used many compounds, for example, (4-Chlorophenyl)methanol (cas: 873-76-7Application of 873-76-7).

(4-Chlorophenyl)methanol (cas: 873-76-7) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Application of 873-76-7

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis of [1,3,2]dithiazolo[4,5-b][1,2,5]oxadiazolo[3,4-e]pyrazines was written by Konstantinova, Lidia S.;Popov, Vadim V.;Obruchnikova, Natalia V.;Lyssenko, Konstantin A.;Ananyev, Ivan V.;Rakitina, Oleg A.. And the article was included in ARKIVOC (Gainesville, FL, United States) in 2011.Category: alcohols-buliding-blocks This article mentions the following:

The reaction temperature has a strong impact on the results of chlorination of 5,6-bis(tert-butylthio)[1,2,5]oxadiazolo[3,4-b]pyrazine (I) that is readily prepared from 5,6-dichloro[1,2,5]oxadiazolo[3,4-b]pyrazine and sodium tert-butylsulfide. Mono- and bis-(sulfenyl chlorides) were selectively obtained in high yield and their structure was confirmed by the reaction with morpholine. Treatment of [1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-disulfenyl dichloride with primary aliphatic amines and benzylamine afforded N-substituted [1,3,2]dithiazolo[4,5-b][1,2,5]oxadiazolo[3,4-e]pyrazines in moderate yields. Novel pentacyclic [1,2,5]oxadiazolo[3″,4″:5′,6′]pyrazino[2′,3′:5,6][1,2,4]thiadiazino[3,4-b][1,3]benzothiazole (II), whose structure was confirmed by x-ray diffraction, was obtained by the reaction of this disulfenyl dichloride with 2-aminobenzothiazole. In the experiment, the researchers used many compounds, for example, Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2Category: alcohols-buliding-blocks).

Sodium 2-methyl-2-propanethiolate (cas: 29364-29-2) 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. 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.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts