Tag: 100-200

Mixed-Valence Tetranuclear Manganese Single-Molecule Magnets was written by Yoo, Jae;Yamaguchi, Akira;Nakano, Motohiro;Krzystek, J.;Streib, William E.;Brunel, Louis-Claude;Ishimoto, Hidehiko;Christou, George;Hendrickson, David N.. And the article was included in Inorganic Chemistry in 2001.Safety of 6-Methyl-2-pyridinemethanol This article mentions the following:

The preparations, x-ray structures, and detailed phys. characterizations are presented for two new mixed-valence tetranuclear Mn complexes that function as single-mol. magnets (SMM’s): [Mn₄(hmp)₆Br₂(H₂O)₂]Br₂·4H₂O (2) and [Mn₄(6-mehmp)₆Cl₄]·4H₂O (3), where hmp^– is the anion of 2-hydroxymethylpyridine and 6-mehmp^– is the anion of 6-methyl-2-hydroxymethylpyridine. Complex 2·4H₂O crystallizes in the space group P2₁/c, with at -160° of a 10.907(0), b 15.788(0), c 13.941(0) Å, β 101.21(0)°, and Z = 2. The cation lies on an inversion center and consists of a planar Mn₄ rhombus that is mixed-valence, Mn^III₂Mn^II₂. The hmp^– ligands function as bidentate ligands and as the only bridging ligands in 2·4H₂O. Complex 3·4H₂O crystallizes in the monoclinic space group C2/c, with at -160° of a 17.0852(4), b 20.8781(5), c 14.835(3) Å, β 90.5485(8)°, and Z = 4. This neutral complex also has a mixed-valence Mn^III₂Mn^II₂ composition and is best described as having four Mn ions arranged in a bent chain. An μ₂-O atom of the 6-mehmp^– anion bridges between the Mn ions; the Cl^– ligands are terminal. Variable-field magnetization and high-frequency and -field EPR (HFEPR) data indicate that complex 2·4H₂O has a S = 9 ground state whereas complex 3·4H₂O has S = 0 ground state. Fine structure patterns are seen in the HFEPR spectra, and in the case of 2·4H₂O it was possible to simulate the fine structure assuming S = 9 with the parameters g = 1.999, axial zero-field splitting of D/k_B = -0.498 K, quartic longitudinal zero-field splitting of B₄^ο/k_B = 1.72 × 10^-5 K, and rhombic zero-field splitting of E/k_B = 0.124 K. Complex 2·4H₂O exhibits a frequency-dependent out-of-phase a.c. magnetic susceptibility signal, clearly indicating that this complex functions as a SMM. The a.c. susceptibility data for complex 2·4H₂O were measured in the 0.05-4.0 K range and when fit to the Arrhenius law, gave an activation energy of ΔE = 15.8 K for the reversal of magnetization. This ΔE value is to be compared to the potential-energy barrier height of U/k_B = |DŜZ2| = 40.3 K calculated for 2·4H₂O. In the experiment, the researchers used many compounds, for example, 6-Methyl-2-pyridinemethanol (cas: 1122-71-0Safety of 6-Methyl-2-pyridinemethanol).

6-Methyl-2-pyridinemethanol (cas: 1122-71-0) 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. 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.Safety of 6-Methyl-2-pyridinemethanol

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Alcohol – Wikipedia,
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Synthesis, characterisation and crystal structure of a co-crystal of two components. 1,2-Bis(6-methylpyridin-2-yl)ethane-1,2-dione and 1-(pyridin-2-yl)-2-(6-methylpyridin-2-yl)ethane-1,2-dione was written by Percino, M. Judith;Chapela, Victor M.;Urzua, Omar;Toribio, Hector;Rodriguez-Barbarin, Cecilia. And the article was included in Journal of Chemical Research in 2007.Synthetic Route of C7H9NO This article mentions the following:

A condensation reaction of an equimolar ratio of 2-pyridinecarboxaldehyde and (6-methylpyridin-2-yl)methanol without a catalyst in a solvent-free reaction at 140°C was expected to yield 2-hydroxy-[1,2-bis(6-methylpyridin-2-yl)]ethan-1-one. FT-IR spectroscopy of the yellow-brown solid reaction product indicated the presence of a -CO-COH- group. The solid compound was treated with cyclohexane and green crystals were produced. The crystals were characterized by FT-IR, ¹H NMR, El mass spectrometry and single-crystal X-ray diffraction. The mol. and crystal structure determined by single-crystal x-ray diffraction resolved one crystal showing two mol. components [C₁₃H₁₀N₂O₂ and C₁₄H₁₂N₂O₂] at a ratio of 60.4:39.6 [C_13.40H_10.79N₂O₂]. Both compounds co-crystallize in the triclinic space group P-1, with a = 7.859(5), b = 8.021(14), c = 9.060(5) A, α = 101.36(2)°, β = 90.06(3)°, γ = 90.92(3)°, V = 559.8(5) ų, Z = 2. The compounds were 1,2-bis(6-methylpyridin-2-yl)ethane-1,2-dione and 1-(pyridin-2-yl)-2-(6-methylpyridin-2-yl)ethane-1,2-dione. These results are important because they confirm that condensation in a solvent- and catalyst-free reaction yielded precursors that were converted into α-diketone compounds by the action of solvent and oxygen. 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. 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.Synthetic Route of C7H9NO

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Alcohol – Wikipedia,
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Chemicals of concern in building materials: A high-throughput screening was written by Huang, Lei;Fantke, Peter;Ritscher, Amelie;Jolliet, Olivier. And the article was included in Journal of Hazardous Materials in 2022.Application In Synthesis of 2,2′-Oxybis(ethan-1-ol) This article mentions the following:

Chems. used in building materials can be a major passive emission source indoors, associated with the deterioration of indoor environmental quality. This study aims to screen the various chems. used in building materials for potential near-field human exposures and related health risks, identifying chems. and products of concern to inform risk reduction efforts. We propose a mass balance-based and high-throughput suited model for predicting chem. emissions from building materials considering indoor sorption. Using this model, we performed a screening-level human exposure assessment for chems. in building materials, starting from product chem. composition data reported in the Pharos Building Products Database for the USA. Health risks and MAximum chem. Contents from High-Throughput Screening (MACHTS) were determined, combining exposure estimates with toxicity information. Exposures were estimated for > 300 unique chem.-product combinations from the Pharos databases, of which 73% (25%) had non-cancer (cancer) toxicity data available. We identified 55 substances as chems. of high concern, with actual chem. contents exceeding MACHTS by up to a factor 105, in particular diisocyanates and formaldehyde. This stresses the need for more refined investigations to select safer alternatives. This study serves as a suitable starting point for prioritizing chems./products and thus developing safer and more sustainable building materials. In the experiment, the researchers used many compounds, for example, 2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6Application In Synthesis of 2,2′-Oxybis(ethan-1-ol)).

2,2′-Oxybis(ethan-1-ol) (cas: 111-46-6) 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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Application In Synthesis of 2,2′-Oxybis(ethan-1-ol)

Referemce:
Alcohol – Wikipedia,
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Solubilization of iodine by a nonionic surfactant was written by Henderson, G.;Newton, J. M.. And the article was included in Pharmaceutica Acta Helvetiae in 1966.Category: alcohols-buliding-blocks This article mentions the following:

Aqueous and nonaqueous solutions containing iodine and a nonionic surfactant [Cetomacrogol 1000 (I)] were studied. There was evidence that 1:1 charge transfer complex formation occurred in both types of solution, although an accurate determination of the stability constant of the complex by spectrophotometric means was prevented by the occurrence of chem. reactions within the system. Calculated from solubility data, the stability constant of the complex and the distribution coefficient between water and a micellar pseudo phase varied with the concentration of I. In the experiment, the researchers used many compounds, for example, rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6Category: alcohols-buliding-blocks).

rel-(1s,4s)-4-(2-Hydroxypropan-2-yl)-1-methylcyclohexanol hydrate (cas: 2451-01-6) 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. 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.Category: alcohols-buliding-blocks

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Alcohol – Wikipedia,
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Nonenzymatic Dynamic Kinetic Resolution of in situ Generated Hemithioacetals: Access to 1,3-Disubstituted Phthalans was written by Nath, Utpal;Chowdhury, Deepan;Pan, Subhas Chandra. And the article was included in Advanced Synthesis & Catalysis in 2018.HPLC of Formula: 1777-82-8 This article mentions the following:

The first nonenzymic DKR reaction of hemithioacetals was developed. Hemithioacetals were formed in-situ via thiol addition and subsequently underwent an intramol. oxa-Michael reaction. The scope of the reaction was quite broad ranging from aliphatic to aromatic substituents and 1,3-disubstituted-1,3-dihyroisobenzofuran products were obtained in good yields with moderate diastereoselectivities and high enantioselectivities. In the experiment, the researchers used many compounds, for example, (2,4-Dichlorophenyl)methanol (cas: 1777-82-8HPLC of Formula: 1777-82-8).

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

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Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Synthesis, Structural Characterization and Stereochemical Investigation of Chiral Sulfur-Functionalised N-Heterocyclic Carbene Complexes of Palladium and Platinum was written by Krishnan, Deepa;Pullarkat, Sumod A.;Wu, Meiyi;Li, Yongxin;Leung, Pak-Hing. And the article was included in Chemistry – A European Journal in 2013.Quality Control of Sodium 2-methyl-2-propanethiolate This article mentions the following:

Pd and Pt complexes containing a S-functionalized N-heterocyclic carbene (S-NHC) chelate ligand were synthesized. The absolute conformations of these novel organometallic S-NHC chelates were determined by x-ray structural analyses and solution-phase 2-dimensional ¹H-¹H ROESY NMR spectroscopy. The structural studies revealed that the Ph substituents on the stereogenic C atoms invariably take up the axial positions on the Pd-C-S coordination plane to afford a skewed five-membered ring structure. All of the chiral complexes are structurally rigid and stereochem. locked in a chiral ring conformation that is either (R_s,S,R)-λ or (S_s,R,R)-δ in both the solid state and solution 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. 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.Quality Control of Sodium 2-methyl-2-propanethiolate

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The roles of different photoselective nets in the targeted regulation of metabolite accumulation, wine aroma and sensory profiles in warm viticulture regions was written by Li, Wanping;Liu, Min;Chen, Keqin;Zhang, Jinsheng;Xue, Tingting;Cheng, Zhenglong;Zhang, Bo;Zhang, Kekun;Fang, Yulin. And the article was included in Food Chemistry in 2022.HPLC of Formula: 3391-86-4 This article mentions the following:

To improve the quality of grapes and wine in warm viticulture regions, the effects of pearl, red and black photoselective nets on the quality of grapes and wine were systematically investigated. Compared with the CK (open field), three nets improved the microclimate conditions and reduced grape sugar and wine alc. levels. However, the nets differentially affected other quality profiles of the grapes and wine. The pearl net reduced the total flavanol contents in grapes and total aromatic volatiles in wine. The red net increased the total flavanol, tannin and total aromatic volatile contents in wine by approx. 40%, 95% and 10%, resp., and the percentages for the black net were 30%, 45% and 3%, resp. The red and pearl nets were more inclined to improve the taste and aroma sensory qualities of wine than the black net did. The red net had the highest comprehensive scores via principal component anal. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4HPLC of Formula: 3391-86-4).

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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.HPLC of Formula: 3391-86-4

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Direct Photoexcitation of Xanthate Anions for Deoxygenative Alkenylation of Alcohols was written by Guo, Hong-Mei;He, Bin-Qing;Wu, Xuesong. And the article was included in Organic Letters in 2022.Quality Control of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol This article mentions the following:

Xanthate salts as a unique class of visible-light-excitable alkyl radical precursors that act simultaneously as strong photoreductants and alkyl radical sources were identified. Upon direct photoexcitation of xanthate anions, efficient deoxygenative alkenylation and alkylation of a wide range of primary, secondary, and tertiary alcs. ROH (R = Me, cyclohexyl, 2-phenylethyl, 2-(thiophen-3-yl)ethyl, etc.) have been achieved via a one-pot protocol, avoiding any photocatalysts. This method exhibits a broad substrate scope and good functional group tolerance, enabling late-stage functionalization of complex mols. In the experiment, the researchers used many compounds, for example, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5Quality Control of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol).

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol (cas: 2216-51-5) 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.Quality Control of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

The formation mechanisms of key flavor substances in stinky tofu brine based on metabolism of aromatic amino acids was written by Tang, Hui;Li, Pao;Chen, Lin;Ma, Jin-Kui;Guo, Hong-Hui;Huang, Xiao-Chen;Zhong, Rui-Min;Jing, Si-Qun;Jiang, Li-Wen. And the article was included in Food Chemistry in 2022.Category: alcohols-buliding-blocks This article mentions the following:

Understanding the formation mechanism of the flavor compounds in stinky tofu brine is crucial for controlling the flavor quality of Changsha stinky tofu. Dynamic changes in associated bacteria, enzymes, and differential metabolites in the metabolic pathway of aromatic amino acids in brine were investigated. Results showed that phenol (0.39∼89.96 μg/mL), p-cresol (0.19∼389.62 μg/mL), indole (1.14∼242.97 μg/mL), 3-methylindole (0.14∼3.00 μg/mL) were the key flavor substances of brine. The main associated bacteria Clostridiales bacterium SYSU GA17129, Aneurinibacillus aneurinilyticus, and Anaerosalibacter massiliensis were significantly pos. correlated with key flavor substances (P < 0.05). The main associated enzymes were transaminase, decarboxylase, and lyase. In summary, phenol and p-cresol were formed by the metabolism of tyrosine and phenylalanine through five reaction chains, and indole and 3-methylindole were formed by the metabolism of tryptophan through one and three reaction chains, resp. In the experiment, the researchers used many compounds, for example, Oct-1-en-3-ol (cas: 3391-86-4Category: alcohols-buliding-blocks).

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. Grignard and organolithium reagents are powerful tools for organic synthesis, and the most common products of their reactions are alcohols.Category: alcohols-buliding-blocks

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Antimicrobial properties of volatile phenylpropanes was written by Pauli, Alexander;Kubeczka, Karl-Heinz. And the article was included in Natural Product Communications in 2010.Computed Properties of C7H6O3 This article mentions the following:

The examination of antimicrobial structure-activity relationships of 93 volatile phenylpropanes (VPs) and 21 related aromatic compounds revealed a dependence of antimicrobial activity from the kind and number of substituents on the aromatic ring, their substitution pattern and microbial characteristics, such as Gram coloring and strain specific factors. Eugenol isomers were predominantly inhibitory in a concentration range from 25 to 2000 mg/L against all microorganisms tested, which were three strains of Escherichia coli and Klebsiella pneumoniae, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, Listeria monocytogenes, and Candida albicans. Etherified VPs were either less active or inactive depending on the type of side chain and/or substitution pattern. Differences in the antimicrobial activity of cis- and trans-isomers were observed Species specific structure-activity relationships exist as was demonstrated with the Gram-neg. bacteria (inactivity of E-ortho-eugenol) C. albicans (activity of di- and threefold methoxylated 1-propenylbenzenes), S. aureus and B. subtilis (activity of di-ortho methoxylated phenolic allylbenzenes and hydroquinone derivatives). With regard to the variety of observed specific effects and natural variation of susceptibility towards VPs according to literature reference data, the chances for successful prediction by computational anal. (QSAR) appear to be limited. In the experiment, the researchers used many compounds, for example, Benzo[d][1,3]dioxol-4-ol (cas: 69393-72-2Computed Properties of C7H6O3).

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. The most common reactions of alcohols can be classified as oxidation, dehydration, substitution, esterification, and reactions of alkoxides.Computed Properties of C7H6O3

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts