Month: December 2022

Gharagheizi, Farhad published the artcileCorresponding States Method for Estimation of Upper Flammability Limit Temperature of Chemical Compounds, HPLC of Formula: 1589-47-5, the publication is Industrial & Engineering Chemistry Research (2012), 51(17), 6265-6269, database is CAplus.

The accuracy and predictability of predictive methods to determine chem. species flammability characteristics are critically important in the chem. industry. This work continued applying the gene expression programming math. strategy to modify existing thermophys. property correlations available in the literature to: optimize the number of independent parameters; amplify the generality; and improve accuracy and predictability. This work presented a simple corresponding states model to predict the upper flammability limit temperature for 1462 organic compounds from 76 chem. families. Correlation parameters included critical temperature and compound acentric factor. Obtained statistical parameters including average absolute relative deviation of results from the DIPPR 801 database values (1.7, 1.8, and 1.7% for training, optimization, and prediction sets, resp.) demonstrated improved accuracy of presented correlations.

Industrial & Engineering Chemistry Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, HPLC of Formula: 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Gharagheizi, Farhad published the artcileGene expression programming strategy for estimation of flash point temperature of non-electrolyte organic compounds, COA of Formula: C4H10O2, the publication is Fluid Phase Equilibria (2012), 71-77, database is CAplus.

The accuracy and predictability of correlations and models to determine the flammability characteristics of chem. compounds are of drastic significance in various chem. industries. In the present study, the main focus is on introducing and applying the gene expression programming (GEP) math. strategy to develop a comprehensive empirical method for this purpose. This work deals with presenting an empirical correlation to predict the flash point temperature of 1471 (non-electrolyte) organic compounds from 77 different chem. families. The parameters of the correlation include the mol. weight, critical temperature, critical pressure, acentric factor, and normal b.p. of the compounds The obtained statistical parameters including root mean square of error of the results from DIPPR 801 data (8.8, 8.9, 8.9 K for training, optimization and prediction sets, resp.) demonstrate improved accuracy of the results of the presented correlation with respect to previously-proposed methods available in open literature.

Fluid Phase Equilibria published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, COA of Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Karuppusamy, Velusamy published the artcileBF₃·OEt₂-TFAA Mediated Tetra-Functionalization of Amino Acids – Synthesis of Di- and Tri-Substituted 2-Trifluoromethyl Oxazoles in One Pot, COA of Formula: C11H10O, the publication is Organic Letters (2020), 22(18), 7147-7151, database is CAplus and MEDLINE.

A highly efficient, TFAA-BF₃·OEt₂ mediated multicomponent coupling of amino acid, TFAA, and aromatics provides a broad library of 2-trifluoromethyl equipped 2,5-disubstituted/2,4,5-trisubstituted oxazoles or N-(trifluoroacetyl)-β-aminoalkyl ketones. This amino acid tetra-functionalization approach involves amidation (C-N), anhydride (C-O), Friedel-Crafts acylation (C-C), and Robinson-Gabriel annulation (C-O) followed by dehydrative aromatization. This reaction takes place under operationally simple, mild, and metal-free conditions using readily available amino acids and aromatic compounds

Organic Letters published new progress about 93-04-9. 93-04-9 belongs to ethers-buliding-blocks, auxiliary class Naphthalene,Ether, name is 2-Methoxynaphthalene, and the molecular formula is C11H10O, COA of Formula: C11H10O.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mizukami, Daichi published the artcileTandem Macrolactone Synthesis: Total Synthesis of (-)-Exiguolide by a Macrocyclization/Transannular Pyran Cyclization Strategy, Recommanded Product: (+)-B-Methoxydiisopinocampheylborane, the publication is Angewandte Chemie, International Edition (2022), 61(22), e202202549, database is CAplus and MEDLINE.

Tetrahydropyran-containing macrolactones were synthesized by integrating Meyer-Schuster rearrangement, macrocyclic ring-closing metathesis, and transannular oxa-Michael addition under gold and ruthenium catalysis. Single-step access to a variety of 14- to 20-membered macrolactones containing a tetrahydropyran ring was possible from readily available linear precursors in good yields and with moderate to excellent diastereoselectivity. A 13-step synthesis of (-)-exiguolide (I), an anticancer marine macrolide, showcased the feasibility of our tandem reaction sequence for macrolactone synthesis and also demonstrated the power of transannular reactions for rapid assembly of the tetrahydropyran rings of the target natural product.

Angewandte Chemie, International Edition published new progress about 99438-28-5. 99438-28-5 belongs to ethers-buliding-blocks, auxiliary class Chiral,Aliphatic cyclic hydrocarbon, name is (+)-B-Methoxydiisopinocampheylborane, and the molecular formula is C21H37BO, Recommanded Product: (+)-B-Methoxydiisopinocampheylborane.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Tobisu, Mamoru published the artcileIridium/N-heterocyclic carbene-catalyzed C-H borylation of arenes by diisopropylaminoborane, Name: 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, the publication is Beilstein Journal of Organic Chemistry (2016), 654-661, database is CAplus and MEDLINE.

Catalytic C-H borylation of arenes has been widely used in organic synthesis because it allows the introduction of a versatile boron functionality directly onto simple, unfunctionalized arenes. Authors report herein the use of diisopropylaminoborane as a boron source in C-H borylation of arenes. An iridium(I) complex with 1,3-dicyclohexylimidazol-2-ylidene is found to efficiently catalyze the borylation of arenes and heteroarenes. The resulting aminoborylated products can be converted to the corresponding boronic acid derivatives simply by treatment with suitable diols or diamines.

Beilstein Journal of Organic Chemistry published new progress about 596819-12-4. 596819-12-4 belongs to ethers-buliding-blocks, auxiliary class Thiophene,Boronic acid and ester,Ether,Boronate Esters,Boronic acid and ester, name is 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, and the molecular formula is C6H8BNO3, Name: 2-(5-Methoxythiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Permana, Yessi published the artcileRing-opening of oxiranes using taeniolite-supported tris(β-diketonato)zirconium, Application of 2-Methoxypropan-1-ol, the publication is ITB Journal of Science (2012), 44A(3), 263-274, database is CAplus.

Tris(β-diketonato)zirconium(IV) complexes were immobilized into a synthetic clay structure of Taeniolite by an ion-exchange method to generate organic/inorganic hybrid compounds The hybrid compound served as a good catalyst for ring-opening reactions of Me, Et, and di-Me oxiranes with various alcs. to generate primary alkoxy alcs. in appreciable selectivity. This method describes a technique to immobilize cationic zirconium complexes without losing selectivity.

ITB Journal of Science published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, Application of 2-Methoxypropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Cho, Nam Sung published the artcileSynthesis, characterization, and electroluminescence of new conjugated polyfluorene derivatives containing various dyes as comonomers, Name: 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, the publication is Macromolecules (2004), 37(14), 5265-5273, database is CAplus.

Four new fluorene-based alternating polymers (PFR1-S, PFR2-S, PFR3-S, and PFR4-S) containing different comonomers, i.e., 2,5-bis{2-(4′-bromophenyl)-1-cyanovinyl}-2-(2′-ethylhexyloxy)-5-methoxybenzene (R1), 2,5-bis{2-(4′-bromophenyl)-2-cyanovinyl}-2-(2′-ethylhexyloxy)-5-methoxybenzene (R2), 2,5-bis{2-(4′-bromothienyl)-1-cyanovinyl}-2-(2′-ethylhexyloxy)-5-methoxybenzene (R3), and 2,5-bis{2-(4′-bromothienyl)-2-cyanovinyl}-2-(2′-ethylhexyloxy)-5-methoxybenzene (R4), were designed, synthesized, and characterized. These polymers were thermally stable and readily soluble in common organic solvents. Single layer LED devices fabricated from these polymers emitted bluish green to pure red light. The color of the light emitted by the homopolymer, poly(9,9-dioctylfluorene-2,7-diyl) (PDOF), can be tuned by incorporating R1, R2, R3, and R4 comonomers, which have narrower band gaps. The absorption and emission maxima of the copolymers varied according to the position of the cyano group in the vinylene unit (α- or β-position) and the type of incorporated aromatic group (thiophene or phenylene). Notably, PFR4-S, prepared from R4 and 2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9′-dioctylfluorene, showed pure red emission (CIE coordinate values x, y = 0.66 and 0.33, resp.) that is almost identical to the standard red (0.66, 0.34) demanded by the National Television System Committee. PFR3-S also exhibited pure red emission (chromaticity values x, y = 0.63 and 0.38, resp.), and its maximum luminance and maximum external quantum efficiency were approx. 3100 cd/m² at 6 V and 0.46% at 4 V, resp.

Macromolecules published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C15H24O2, Name: 1-((2-Ethylhexyl)oxy)-4-methoxybenzene.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Kitamura, Seiya published the artcileRational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa, Safety of 2-Isopropylanisole, the publication is Journal of Medicinal Chemistry (2016), 59(10), 4790-4799, database is CAplus and MEDLINE.

The virulence factor cystic fibrosis transmembrane conductance regulator (CFTR) inhibitory factor (Cif) is secreted by Pseudomonas aeruginosa and is the founding member of a distinct class of epoxide hydrolases (EHs) that triggers the catalysis-dependent degradation of the CFTR. We describe here the development of a series of potent and selective Cif inhibitors by structure-based drug design. Initial screening revealed 1a (KB2115), a thyroid hormone analog, as a lead compound with low micromolar potency. Structural requirements for potency were systematically probed, and interactions between Cif and 1a were characterized by X-ray crystallog. On the basis of these data, new compounds were designed to yield addnl. hydrogen bonding with residues of the Cif active site. From this effort, three compounds were identified that are 10-fold more potent toward Cif than our first-generation inhibitors and have no detectable thyroid hormone-like activity. These inhibitors will be useful tools to study the pathol. role of Cif and have the potential for clin. application.

Journal of Medicinal Chemistry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Safety of 2-Isopropylanisole.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Shaw, Margaret A. published the artcileIsotonic solutions. XIII. Hemolysis of red corpuscles by various substances in the presence of sodium chloride, Safety of 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, the publication is Journal of Pharmaceutical Sciences (1962), 929-31, database is CAplus and MEDLINE.

cf. CA 58, 3735c. An increase in the concentration of NaCl reduced the degree of hemolysis produced in the presence of 0.6% NaCl by procaine-HCl, 2-propoxyprocaine-HCl, NH₄ salicylate, NH₄ benzoate, pramoxine-HCl, benoxinateHCl, hexylcaine-HCl and butacaine sulfate, but increased that produced by phenmetrazine-HCl.

Journal of Pharmaceutical Sciences published new progress about 637-58-1. 637-58-1 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride, and the molecular formula is C4H6O3, Safety of 4-(3-(4-Butoxyphenoxy)propyl)morpholine hydrochloride.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zhang, Yifan published the artcileElectron transfer capacity of humic acid in soil micro and macro aggregates in response to mulching years, Safety of 4-Hydroxy-3,5-dimethoxybenzaldehyde, the publication is Science of the Total Environment (2022), 154927, database is CAplus and MEDLINE.

Plastic film mulching can help farmers meet food production requirements and even increase output. Although the environmental impact of this mulch has received attention, uncertainty remains about certain soil components and the course of its long-term effects. In particular, it is not clear whether the long-term use of mulching film will affect the electron transfer capacity (ETC) of natural organic matter in the soil. This study evaluated the electron-accepting capacity (EAC) and electron-donating capacity (EDC) of soil humic acid (HA) in different-size aggregates in response to different film mulching years (0-6 years). The EAC of HA in the soil showed a downward trend as mulching years increased, while the EDC fluctuated. EAC decline in microaggregates (MIA) was more significant than that of macroaggregates (MAA). Film mulching changes the phys. and chem. properties of soil and the activity of enzymes, changes the chem. structure of HA, and ultimately affects HA electron transfer. In addition, compared with that in MAA, the chem. structure of soil HA in MIA has a stronger correlation with enzyme activity and ETC and thus is more significantly affected by mulching. These results provide an in-depth understanding of the role of HA in soil aggregates of different sizes in processes related to the agricultural soil environment under mulching conditions.

Science of the Total Environment published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C17H14F3N3O2S, Safety of 4-Hydroxy-3,5-dimethoxybenzaldehyde.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem