Tag: 100-200

LC-HRMS based method for suspect/non-targeted screening for biomarkers of chemical exposure in human urine was written by Tkalec, Ziga;Codling, Garry;Klanova, Jana;Horvat, Milena;Kosjek, Tina. And the article was included in Chemosphere in 2022.Computed Properties of C4H10O4 This article mentions the following:

Every day we are exposed to a cocktail of anthropogenic compounds many of which are biol. active and capable of inducing neg. effects. The simplest way to monitor contaminants in a population is via human biomonitoring (HBM), however conventional targeted approaches require foreknowledge of chems. of concern, often have compound specific extractions and provide information only for those compounds This study developed an extraction process for human biomarkers of interest (BoE) in urine that is less compound specific. Combining this with an ultra-high resolution mass spectrometer capable of operating in full scan, and a suspect and non-targeted anal. (SS/NTA) approach, this method provides a more holistic characterization of human exposure. Sample preparation development was based on enzymically hydrolyzed urine spiked with 34 native standards and extracted by solid-phase extraction (SPE). HRMS data was processed by MzMine2 and 80% of standards were identified in the final data matrix using typical NTA data processing procedures. 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. 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.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Efficient Synthesis of (R)-2-Chloro-1-(2,4-dichlorophenyl)ethanol with a Ketoreductase from Scheffersomyces stipitis CBS 6045 was written by Shang, Yue-Peng;Chen, Qi;Kong, Xu-Dong;Zhang, Yu-Jun;Xu, Jian-He;Yu, Hui-Lei. And the article was included in Advanced Synthesis & Catalysis in 2017.Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol This article mentions the following:

By enzyme screening, a ketoreductase cloned from Scheffersomyces stipitis CBS 6045 and named SsCR was identified that could catalyze the asym. hydrogenation of a variety of aromatic ketones. SsCR exhibited a specific activity of 65 U mg^-1 protein and excellent enantioselectivity (99.9% ee) towards the hydrophobic substrate 2-chloro-1-(2,4-dichlorophenyl)ethanone, which is an intermediate in the synthesis of common antifungal agents such as miconazole, econazole and sertaconazole. The kinetic parameter k_cat/K_m was 4.51×10³ s^-1 mM^-1, showing the great catalytic efficiency of SsCR towards this substrate. Mol. dynamic simulation results shed light on the higher substrate binding free energy change for this substrate relative to other substrates. Based on the good catalytic properties of SsCR, (R)-2-chloro-1-(2,4-dichlorophenyl)ethanol could be obtained with a space-time yield (STY) of up to 268 g L^-1 d^-1 without any addnl. cofactor required in the reductive reaction process. On scaling up the bioreaction, the (R)-alc. was isolated with 88.2% yield and 99.9% ee. The environmental factor (E factor) of this reaction was 7.25 when process water was excluded. In the experiment, the researchers used many compounds, for example, (R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol).

(R)-1-(3-Chlorophenyl)ethanol (cas: 120121-01-9) belongs to alcohols. Alkyl halides are often synthesized from alcohols, in effect substituting a halogen atom for the hydroxyl group. 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.Recommanded Product: (R)-1-(3-Chlorophenyl)ethanol

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Palladium aminopyridine complexes catalyzed selective benzylic C-H oxidations with peracetic acid was written by Lubov, Dmitry P.;Lyakin, Oleg Yu.;Samsonenko, Denis G.;Rybalova, Tatyana V.;Talsi, Evgenii P.;Bryliakov, Konstantin P.. And the article was included in Dalton Transactions in 2020.Synthetic Route of C7H9NO This article mentions the following:

Four palladium(II) complexes with tripodal ligands of the tpa family (tpa = tris(2-pyridylmethyl)amine) was synthesized and X-ray characterized. These complexes efficiently catalyzed benzylic C-H oxidation of various substrates with peracetic acid, affording the corresponding ketones in high yields (up to 100%), at < 1 mol% catalyst loadings. Complex [(tpa)Pd(OAc)](PF₆) with the least sterically demanding ligand tpa demonstrated the highest substrate conversions and ketone selectivities. Preliminary mechanistic data provided evidence in favor of metal complex-mediated rate-limiting benzylic C-H bond cleavage by an electron-deficient oxidant. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Synthetic Route of C7H9NO).

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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Synthetic Route of C7H9NO

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

β-Galactosidase-catalyzed intramolecular transglycosylation was written by Komba, Shiro;Ito, Yukishige. And the article was included in Tetrahedron Letters in 2001.Computed Properties of C7H7NO4 This article mentions the following:

A novel transglycosylation strategy for efficient preparation of N-acetyllactosamine (Galβ1→4GlcNAc, LacNAc) and sialyl LacNAc was developed using β-galactosidase from Bacillus circulans. In order to minimize the competing hydrolysis by forcing the enzymic transglycosylation to proceed in an intramol. manner, a novel substrate carrying the donor (galactose) and the acceptor (N-acetylglucosamine) components linked via a 2-hydroxy-5-nitro-benzylalc. derived tether was prepared Treatment with β-galactosidase from B. circulans afforded the transglycosylation product in 26% yield. Furthermore, addition of sialyltransferase and CMP-sialic acid to this system gave sialyl LacNAc in 39% yield. 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. 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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Computed Properties of C7H7NO4

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Glyphaeaside C-enriched extract of Glyphaea brevis restored the antioxidant and reproductive integrity of 1,4-Dinitrobenzene-intoxicated rats was written by Olugbodi, Janet Olayemi;Olaleye, Mary Tolulope;Mostafa-Hedeab, Gomaa;Alqarni, Mohammed;Ilesanmi, Omotayo Babatunde;Batiha, Gaber El-Saber;Akinmoladun, Afolabi Clement. And the article was included in Biomedicine & Pharmacotherapy in 2022.Computed Properties of C4H10O4 This article mentions the following:

This study assessed the fertility potential of methanol leaf extract of Glyphaea brevis (MGB) in rats exposed to 1,4-Dinitrobenzene (DNB), an environmental reprotoxicant. Male Wistar rats were orally exposed to 50 mg/kg DNB and administered 750 mg/kg MGB, 1500 mg/kg MGB or 300 mg/kg vitamin E for 21 days after 48 h of DNB exposure. Determination of serum reproductive hormone levels by enzyme-linked immunosorbent assays, evaluation of hematol. profile, computer-assisted sperm analyses (CASA) of sperm kinematics and morphol., assessment of testicular and spermatozoan antioxidant systems, and histopathol. evaluation of reproductive tissues were performed. HPLC-DAD anal. identify Glyphaeaside C as the major component of the extract In rats toxified with 50 mg/kg DNB, testicular and epididymal weights, serum levels of LH, testosterone and FSH, and packed cell volume, Hb concentration, and white blood cell counts were decreased. There was altered sperm kinematics which reflected in increased sperm abnormalities. Treatment with the Glyphaeaside C -enriched MGB counteracted all DNB-induced changes and corrected DNB-induced aberrations in kinematic endpoints. Also, testicular and epididymal antioxidant systems were disrupted and there was damage to tissue histoarchitecture. Furthermore, our mol. docking study revealed that Glyphaeaside-C exhibited high binding affinities to the binding pocket of some free radical generating enzymes. Conclusively, the results indicated that Glyphaeaside C-enriched extract of Glyphaea brevis leaf enhanced the quality of semen and improved the functional capabilities of spermatozoa following exposure of rats to DNB which could translate to enhanced fertility. 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. 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.Computed Properties of C4H10O4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Structural Revision and Synthesis of Altechromone A was written by Koenigs, P.;Rinker, B.;Maus, L.;Nieger, M.;Rheinheimer, J.;Waldvogel, S. R.. And the article was included in Journal of Natural Products in 2010.Reference of 1634-34-0 This article mentions the following:

The chromone “altechromone A” was synthesized as a substructure in the course of natural product synthesis. Its architecture was verified by X-ray anal., but spectroscopic data showed a strong deviation from the reported data. By comparison with the synthesized isomers the structure of altechromone A was revised to structure I. 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. 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.Reference of 1634-34-0

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Development of an enolate alkynylation approach towards the synthesis of the taiwanschirin natural products was written by Haughey, Maxwell B.;Christensen, Kirsten E.;Poole, Darren L.;Donohoe, Timothy J.. And the article was included in Chemical Science in 2021.Safety of Benzo[d][1,3]dioxol-4-ol This article mentions the following:

Through the use of model studies, an approach was conceived towards the synthesis of the taiwanschirin family of natural products. These are structurally complex compounds which represent highly challenging and biol. active targets for total synthesis. This work described a successful synthesis of the complex taiwanschirin fused [8,6,5] core through a novel alkynylation reaction coupled with an intramol. Heck reaction used to construct the 8-membered ring. In the experiment, the researchers used many compounds, for example, Benzo[d][1,3]dioxol-4-ol (cas: 69393-72-2Safety of Benzo[d][1,3]dioxol-4-ol).

Benzo[d][1,3]dioxol-4-ol (cas: 69393-72-2) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. 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.Safety of Benzo[d][1,3]dioxol-4-ol

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Alcohol – Wikipedia,
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Irreversible Inhibition of IspG, a Target for the Development of New Antimicrobials, by a 2-Vinyl Analogue of its MEcPP Substrate was written by Herrscher, Vivien;Witjaksono, Clea;Buchotte, Marie;Ferret, Claire;Massicot, Fabien;Vasse, Jean-Luc;Borel, Franck;Behr, Jean-Bernard;Seemann, Myriam. And the article was included in Chemistry – A European Journal in 2022.Product Details of 149-32-6 This article mentions the following:

IspG (also called GcpE) is an oxygen-sensitive [4Fe-4S] enzyme catalyzing the penultimate step of the methylerythritol phosphate (MEP) pathway, a validated target for drug development. It converts 2-C-methyl-D-erythritol-2,4-cyclo-diphosphate (MEcPP) into (E)-4-hydroxy-3-methyl-but-2-enyl-1-diphosphate (HMBPP). The reaction, assimilated to a reductive dehydration, involves redox partners responsible for the formal transfer of two electrons to substrate MEcPP. The 2-vinyl analog of MEcPP was designed to generate conjugated species during enzyme catalysis, with the aim of providing new reactive centers to be covalently trapped by neighboring amino acid residues. The synthesized substrate analog displayed irreversible inhibition towards IspG. Furthermore, we have shown that electron transfer occurs prior to inhibition; this might designate conjugated intermediates as probable affinity tags through covalent interaction at the catalytic site. This is the first report of an irreversible inhibitor of the IspG metalloenzyme. In the experiment, the researchers used many compounds, for example, (2R,3S)-rel-Butane-1,2,3,4-tetraol (cas: 149-32-6Product Details of 149-32-6).

(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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Product Details of 149-32-6

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Aromatic alcohols oxidation and hydrogen evolution over π-electron conjugated porous carbon nitride rods was written by Xia, Jiawei;Karjule, Neeta;Mark, Gabriel;Volokh, Michael;Chen, Haiqun;Shalom, Menny. And the article was included in Nano Research.Product Details of 1777-82-8 This article mentions the following:

Photocatalysis using polymeric carbon nitride (CN) materials is a constantly evolving field, where the variation of synthetic procedures allows the constant improvement of activity by tackling the intrinsic limitations of these materials (optical absorbance, sp. surface area, charge migration, etc.). Amongst the possible photocatalytic reactions, the most popular application of CNs is the hydrogen evolution reaction (HER) from water. In this work, we design precisely-controlled carbon-doped porous CN rods with extended π-electron conjugation from supramol. assemblies of melem and co-monomers, which partially substitute nitrogen for carbon atoms at the pyrimidine ring of the melem. Dense hydrogen bonds and good thermal stability of the melem-based supramol. framework allow synthesizing a more ordered structure for improved charge migration; the control from the mol. level over the position of carbon-substituted nitrogen positions tailors the band alignment and photogenerated charge separation The optimal photocatalyst shows an excellent HER rate (up to 10.16 mmol·h^-1·g^-1 under 100 W white light-emitting diode (LED) irradiation, with an apparent quantum efficiency of 20.0% at 405 nm, which is 23.2 times higher compared to a reference bulk CN). To fully harness the benefits of the developed metal-free CNs, selective oxidation reaction of aromatic alcs. is demonstrated with high conversion and selectivity. [graphic not available: see fulltext] In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8Product Details of 1777-82-8).

(2,4-Dichlorophenyl)methanol (cas: 1777-82-8) 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.Product Details of 1777-82-8

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bio-based benzoxazine monomers and polymers based on difuran diamine was written by Yu, Mengwen;Yadav, Santosh K.;La Scala, John J.;Palmese, Giuseppe R.. And the article was included in Journal of Applied Polymer Science in 2022.SDS of cas: 499-75-2 This article mentions the following:

Benzoxazine monomers with high renewable content made from difuran diamine (DFDA) are presented. The benzoxazine monomers were synthesized by reacting DFDA with several bio-based phenolic compounds and formaldehyde. These systems were purified by precipitation, and depending on composition, the resulting solid powders melt at temperatures ranging between 50 and 150°C to form low viscosity liquids that can be used to impregnate fiber reinforcements. Onset cure temperature varies depending on composition in the range of 150-240°C. The resulting polybenzoxazines have Tg’s ranging from 240 to 300°C. It was found that the phenolic structure selected affects curing mechanisms of the DFDA-based benzoxazines, benzoxazines that have available ortho or para positions on the phenolic structures result in cure without mass loss. It was also found that adding furan rings into the backbone of the polybenzoxazine network provided the added benefit of char yield as high as 60%, as measured by thermal gravimetric anal. temperature ramps in an inert environment to 800°C. Compared with benzene-ring-based benzoxazine counterparts, furan-based benzoxazines showed better thermal stability. In addition to promising processing and thermal characteristics useful for applications requiring high temperature and fire resistance, these materials contain high renewable content. In the experiment, the researchers used many compounds, for example, 5-Isopropyl-2-methylphenol (cas: 499-75-2SDS of cas: 499-75-2).

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

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts