Tag: 100-200

Category: alcohols-buliding-blocksIn 1985, Benecky, Michael J.;Copeland, Robert A.;Hays, Thomas R.;Lobenstine, Eric W.;Rava, Richard P.;Pascal, Robert A. Jr.;Spiro, Thomas G. published 《Resonance Raman spectroscopy of pyridoxal Schiff bases》. 《Journal of Biological Chemistry》published the findings. The article contains the following contents:

Resonance Raman (RR) spectra are reported for amino acid and amine adducts of pyridoxal 5′-phosphate (PLP) and 5′-deoxypyridoxal (5′-dPL) in aqueous solution For the valine adducts, a detailed study was carried out on solutions at pH and pD 5, 9, and 13, values at which the pyridine and imine protons are successively ionized, and on the adducts formed from [¹⁵N]valine, α-deuterovaline, and N-methyl-PLP. Good quality spectra were obtained, despite the strong fluorescence of pyridoxal Schiff bases, by adding KI as a quencher, and by exciting the mols. on the blue side of their absorption bands: 406.7 nm (cw K⁺ laser) for the pH 5 and 9 species (λ_max = 409 and 414 nm), and 354.7 nm (pulsed YAG laser, 3rd harmonic) for the pH 13 species (λ_max = 360 nm). A prominent band at 1646 cm^-1 was assigned to the imine C:N stretch via its 13 cm^-1 15N shift. A 12 cm^-1 downshift of the band in D₂O confirmed that the Schiff base linkage is protonated at pH 9. Deprotonation at pH 13 shifted ν_C:N from 1646 to 1629 cm^-1, values typical of conjugated Schiff bases. The strongest band in the spectrum, at 1338 cm^-1, shifted to 1347 cm^-1 upon pyridine protonation at pH 5, and was assigned to a ring mode with a large component of phenolate C-O stretch. A shoulder on its low-frequency side was assigned to the C4-C4′ stretch. Large enhancements of these modes could be understood qual. in terms of the dominant resonance structures contributing to the ground and resonant excited states. A number of weaker bands were observed, and assigned to pyridine ring modes. These modes gained significantly in intensity, and the exocyclic modes diminished, when the spectra were excited at 266 nm (YAG laser, 4th harmonic) in resonance with ring-localized electronic transitions. The experimental procedure involved many compounds, such as 5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride (cas: 148-51-6) .

5-(hydroxymethyl)-2,4-dimethylpyridin-3-ol hydrochloride(cas:148-51-6 Category: alcohols-buliding-blocks) is a vitamin B6 antimetabolite with diverse biological activities. It inhibits transport of pyridoxine , pyridoxal, and pyridoxamine in and reduces growth of S. carlsbergensis cells. DOP inhibits sphingosine-1-phosphate (S1P) lyase and reduces cyclic stretch-induced apoptosis in alveolar epithelial MLE-12 cells.

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Recommanded Product: 110-03-2《Selective deoxygenative alkylation of alcohols via photocatalytic domino radical fragmentations》 was published in 2021. The authors were Guo, Hong-Mei;Wu, Xuesong, and the article was included in《Nature Communications》. The author mentioned the following in the article:

A one-pot strategy for deoxygenative Giese reaction of alcs. with electron-deficient alkenes, by using xanthate salts as alc.-activating groups for radical generation under visible-light photoredox conditions in the presence of triphenylphosphine were reported. The convenient generation of xanthate salts and high reactivity of sequential C-S/C-O bond homolytic cleavage enable efficient deoxygenation of primary, secondary and tertiary alcs. with diverse functionality and structure to generate the corresponding alkyl radicals, including Me radical. Moreover, chemoselective radical monodeoxygenation of diols was achieved via selective formation of xanthate salts.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Recommanded Product: 110-03-2

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Mulero, Angel;Pierantozzi, M.;Cachadina, Isidro;Di Nicola, G. published 《An Artificial Neural Network for the surface tension of alcohols》. The research results were published in《Fluid Phase Equilibria》 in 2017.Electric Literature of C11H16O The article conveys some information:

An Artificial Neural Network model is proposed for the calculation and prediction of the surface tension of alcs. A total amount of 4316 data for 147 alcs. was used for training, validating and testing the network model. After considering different architectures, the one giving better results includes an input layer that uses four independent variables (temperature, critical point temperature, critical d., and radius of gyration), two hidden layers with 21 neurons each one, and one neuron in the output layer was found to give the best results. Overall mean absolute percentage deviation of 1.04% was found, whereas models based on corresponding-states principle give mean deviations higher than 11.3%. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Electric Literature of C11H16O

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Ceriani, Lidia;Papa, Ester;Kovarich, Simona;Boethling, Robert;Gramatica, Paola published 《Modeling ready biodegradability of fragrance materials》 in 2015. The article was appeared in 《Environmental Toxicology and Chemistry》. They have made some progress in their research.Recommanded Product: 3,7-Dimethyloctan-3-ol The article mentions the following:

Here, quant. structure activity relations were developed for predicting ready biodegradability of ∼200 heterogeneous fragrance materials. Two classification methods, classification and regression tree (CART) and k-nearest neighbors (kNN), were applied to perform the modeling. The models were validated with multiple external prediction sets, and the structural applicability domain was verified by the leverage approach. The best models had good sensitivity (internal ≥80%; external ≥68%), specificity (internal ≥80%; external 73%), and overall accuracy (≥75%). Results from the comparison with BIOWIN global models, based on group contribution method, show that specific models developed in this study perform better in prediction than BIOWIN6, in particular for the correct classification of not readily biodegradable fragrance materials. Environ Toxicol Chem 2015;9999:1-8. © 2015 SETAC. And 3,7-Dimethyloctan-3-ol (cas: 78-69-3) was used in the research process.

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Recommanded Product: 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Pan, Aaron;Chojnacka, Maja;Crowley, Robert III;Gottemann, Lucas;Haines, Brandon E.;Kou, Kevin G. M. published 《Synergistic Bronsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers》. The research results were published in《Chemical Science》 in 2022.Recommanded Product: 80-46-6 The article conveys some information:

Dual Bronsted/Lewis acid catalysis involving environmentally benign, readily accessible protic acid and iron promotes site-selective tert-butylation of electron-rich arenes using di-tert-butylperoxide. This transformation inspired the development of a synergistic Bronsted/Lewis acid catalyzed aromatic alkylation that fills a gap in the Friedel-Crafts reaction literature by employing unactivated tertiary alcs. as alkylating agents, leading to new quaternary carbon centers. Corroborated by DFT calculations, the Lewis acid serves a role in enhancing the acidity of the Bronsted acid. The use of non-allylic, non-benzylic, and non-propargylic tertiary alcs. represents an underexplored area in Friedel-Crafts reactivity. The experimental procedure involved many compounds, such as 4-tert-Amylphenol (cas: 80-46-6) .

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. Owing to the presence of the polar OH alcohols are more water-soluble than simple hydrocarbons. Methanol, ethanol, and propanol are miscible in water. Butanol, with a four-carbon chain, is moderately soluble.Recommanded Product: 80-46-6

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Liu, Jingxin;Wang, Hanlin;Zhang, Wenjuan;Wang, Teng;Mei, Meng;Chen, Si;Li, Jinping published 《Mechanistic insights into catalysis of in-situ iron on pyrolysis of waste printed circuit boards: Comparative study of kinetics, products, and reaction mechanism》 in 2022. The article was appeared in 《Journal of Hazardous Materials》. They have made some progress in their research.Recommanded Product: 80-46-6 The article mentions the following:

Pyrolysis is a potential recovery method for waste printed circuit boards (WPCBs), but the organic brominated products are toxic and hazardous. Iron has been used as a catalyst for debromination from pyrolysis oil, but the effects of in-situ iron on WPCBs pyrolysis is still not well understood. Herein, the pyrolysis mechanism for laminates of PCBs in the absence and presence of iron was studied via analyzing pyrolysis characteristics, kinetics, and products. According to the thermogravimetry experiments, pyrolysis of all samples could be divided into four stages, and iron accelerated the pyrolysis reaction by decreasing the activation energy as calculated using the Starink method. Volatiles released during the heating process were continuously determined by TG-FTIR-MS, and products generated at different pyrolysis temperatures were collected and characterized. The obtained results exhibited that iron promoted the generation of gaseous products and facilitated the conversion of organic bromides to inorganic bromides. Therefore, retaining iron was beneficial to energy saving and environmental protection for WPCBs pyrolysis. In addition, the decomposition mechanisms of brominated epoxy resin with and without iron were proposed. This work would contribute to the improvement and application of WPCBs pyrolysis technol.4-tert-Amylphenol (cas: 80-46-6) were involved in the experimental procedure.

4-tert-acylphenol (cas:80-46-6) contains hydroxyl group. 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. Recommanded Product: 80-46-6

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Safety of 3,7-Dimethyloctan-3-olIn 2016, Radaelli, Marcela;da Silva, Barbara Parraga;Weidlich, Luciana;Hoehne, Lucelia;Flach, Adriana;da Costa, Luiz Antonio Mendonca Alves;Ethur, Eduardo Miranda published 《Antimicrobial activities of six essential oils commonly used as condiments in Brazil against Clostridium perfringens》. 《Brazilian Journal of Microbiology》published the findings. The article contains the following contents:

Despite recent advances in food production technol., food-borne diseases (FBD) remain a challenging public health concern. In several countries, including Brazil, Clostridium perfringens is among the five main causative agents of food-borne diseases. The present study determines antimicrobial activities of essential oils of six condiments commonly used in Brazil, viz., Ocimum basilicum L. (basil), Rosmarinus officinalis L. (rosemary), Origanum major ana L. (marjoram), Mentha × piperita L. var. Piperita (peppermint), Thymus vulgaris L. (thyme) and Pimpinella anisum L. (anise) against C. perfringens strain A. Chem. compositions of the oils were determined by GC-MS (gas chromatog.-mass spectrometry). The identities of the isolated compounds were established from the resp. Kováts indexes, and a comparison of mass spectral data was made with those reported earlier. The antibacterial activity was assessed from min. inhibitory concentration (MIC) and min. bactericidal concentration (MBC) using the microdilution method. Min. inhibitory concentration values were 1.25 mg mL-1 for thyme, 5.0 mg mL-1 for basil and marjoram, and 10 mg mL-1 for rosemary, peppermint and anise. All oils showed bactericidal activity at their min. inhibitory concentration, except anise oil, which was only bacteriostatic. The use of essential oils from these common spices might serve as an alternative to the use of chem. preservatives in the control and inactivation of pathogens in com. produced food systems. The experimental procedure involved many compounds, such as 3,7-Dimethyloctan-3-ol (cas: 78-69-3) .

3,7-Dimethyloctan-3-ol(cas:78-69-3) is a fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7.Safety of 3,7-Dimethyloctan-3-ol Metabolite observed in cancer metabolism. It has a role as a human metabolite.

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Dong, Kaiwu;Sang, Rui;Liu, Jie;Razzaq, Rauf;Franke, Robert;Jackstell, Ralf;Beller, Matthias published 《Palladium-Catalyzed Carbonylation of sec- and tert-Alcohols》 in 2017. The article was appeared in 《Angewandte Chemie, International Edition》. They have made some progress in their research.Safety of 2,5-Dimethyl-2,5-hexanediol The article mentions the following:

A general palladium-catalyzed synthesis of linear esters directly from sec- and tert-alcs. is described. Compared to the classic Koch-Haaf reaction, which leads to branched products, this new transformation gives the corresponding linear esters in high yields and selectivity. Key for this protocol is the use of an advanced palladium catalyst system with py^tbpx as the ligand. A variety of aliphatic and benzylic alcs. can be directly used and the catalyst efficiency for the benchmark reaction is outstanding (turnover number up to 89 000). To complete the study, the researchers used 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Safety of 2,5-Dimethyl-2,5-hexanediol

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Stock, Christian;Brueckner, Reinhard published 《Mild and High-Yielding Molybdenum(VI) Dichloride Dioxide-Catalyzed Formation of Mono-, Di-, Tri-, and Tetracarbamates from Alcohols and Aromatic or Aliphatic Isocyanates》. The research results were published in《Advanced Synthesis & Catalysis》 in 2012.Synthetic Route of C8H18O2 The article conveys some information:

Both molybdenum(VI) dichloride dioxide (MoO₂Cl₂) and its DMF (DMF) complex catalyze the addition of alcs. to isocyanates giving carbamates. Most additions proceed to completion at room temperature within 20 min using as little as 0.1 mol% of the catalyst when working on a 1-mmol scale or just 100 ppm working on a 20-mmol scale. Sterically encumbered substrates reacted to completion when 1 mol% of the catalyst was employed. Diols, triols, and tetraols reacted with monoisocyanates likewise, as did monofunctional alcs. and diisocyanates. These pairings furnished di-, tri-, tetra-, and dicarbamates, resp. Reactants, which were poorly soluble in CH₂Cl₂ at room temperature required elevating the temperature and possibly choosing a higher-boiling solvent (ClCH₂CH₂Cl, DMF) as well. Additions of diols to diisocyanates were feasible, too, giving polycarbamates as we presume.2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) were involved in the experimental procedure.

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Synthetic Route of C8H18O2

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Name: 2,5-Dimethyl-2,5-hexanediolIn 2020, Maekawa, Hiroyuki;Kudo, Hiroto;Watanabe, Takeo;Yamamoto, Hiroki;Okamoto, Kazumasa;Kozawa, Takahiro published 《Higher sensitive extreme ultraviolet (euv) resist materials derived from p-t-butylcalix[n]arenes (n = 4 and 8)》. 《Journal of Photopolymer Science and Technology》published the findings. The article contains the following contents:

We examined the synthesis, phys. properties, and resist properties of the various polymers and an oligomer containing fixed hole derived from calixarenes. By the condensation reaction of p-t-butylcalix[n]arene (n = 4 and 8) with 1,4-dichloro-2-oxabutane (DCB) and 2,5-dibromoacetyloxy-2,5-dimethylhexane (DBH), the soluble polymers poly(BCA[8]-co-DCB), poly(BCA[8]-co-DBH), and poly(BCA[4]-co-DCB), and an oligomer BCA[4]-DBH were obtained. They have good phys. properties (solubility, film-forming ability, high thermal stability), excellent thickness loss property, and good aciddeprotection reactivity upon ultra-violet (UV) irradiation The resist-sensitivity in an extreme UV (EUV) exposure tool indicated that poly(BCA[8]-co-DBH) and BCA[4]- DBH were good candidate to offer higher resolution resist pattern, i.e., E₀ = 5.0 mJ/cm² [poly(BCA[8[Bracket (R)[Bracket (R)-co-DBH and 0.8 mJ/cm² (BCA[4]-DBH). The experimental procedure involved many compounds, such as 2,5-Dimethyl-2,5-hexanediol (cas: 110-03-2) .

2,5-Dimethyl-2,5-hexanediol(cas:110-03-2) on heteropoly acid catalyzed dehydration yields cyclic ethers via stereospecific intramolecular SN2 mechanism. It reacts with nitriles in concentrated sulfuric acid to yield Δ1-pyrrolines.Name: 2,5-Dimethyl-2,5-hexanediol

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