Month: November 2022

Hernandez-Bravo, Raiza published the artcileExperimental and theoretical study on the effectiveness of ionic liquids as corrosion inhibitors, COA of Formula: C8H17Br, the publication is Computational & Theoretical Chemistry (2022), 113640, database is CAplus.

An exptl. and computational study, using a D. Functional Theory approach, was made about the anticorrosive effect of ionic liquids on hematite surfaces. Based on the hypothesis that adsorption is an initial step in the kinetics of corrosion, followed by electron transfer processes, adsorption energy calculations and corrosion rates are determined to investigate the effect as corrosion inhibitor of ionic liquids mols. Several, potential descriptors of the inhibitor performance, conceptualized as an electrochem. process, based on the frontier orbital theory were used to characterize the interactions that might inhibit the corrosion, including the energies of the highest occupied (E_LUMO) and lowest unoccupied (E_HOMO) MOs, the energy gap between orbitals, crossed energies differences between HOMO and LUMO of the intervening chem. species and the surface, electronegativity (χ), hardness (η), and number of transferred electrons (ΔN). The main conclusion is that although the adsorption energy is a key parameter in establishing a correlation between calculated parameters and the exptl. characterization of the ILs, the remaining chem. predictors also play an important role on the descriptions of activity corrosion, especially the electronegativity difference between surface and ILs, and the hardness of the IL.

Computational & Theoretical Chemistry published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C8H17Br, COA of Formula: C8H17Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Guan, Yu-Qing published the artcileThe serendipitous effect of KF in Ritter reaction: Photo-induced amino-alkylation of alkenes, HPLC of Formula: 401-55-8, the publication is iScience (2021), 24(9), 102969, database is CAplus and MEDLINE.

The Ritter reaction has been recognized as an elegant strategy to construct the C-N bond. Its key feature is forming the carbocation for nucleophilic attack by nitriles. Herein, authors report a complementary visible-light-induced three-component Ritter reaction of alkenes, nitriles, and α-bromo nitriles/esters, thereby providing mild and rapid access to various γ-amino nitriles/acids. Mechanistic studies indicated that traceless fluoride relay, transforming KF into imidoyl fluoride intermediate, is critical for the efficient reaction switch from atom transfer radical addition (ATRA) to the Ritter reaction. This approach to amino-alkylation of alkenes is chemoselective and operationally simple.

iScience published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C4H6BrFO2, HPLC of Formula: 401-55-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Wotiz, John H. published the artcileThe infrared spectra of a number of isomeric normal acetylenic compounds, Product Details of C7H11Br, the publication is Journal of the American Chemical Society (1949), 3441-4, database is CAplus.

The infrared spectra of 28 normal acetylenic compounds and four substituted normal heptanes, C₅H₁₁CCH, C₄H₉CCCH₃, C₃H₇CC₂H₅, CH₆CC(CH₂)₄C, C₂H₅CC(CH₂)₃Cl, C₄H₉CCCH₂C, CH₃(CH₂)₆Br, HCC(CH₂)₅Br, CH₃CC(CH₂)₄Br, C₃H₇CC(CH₂)₂Br, C₄H₉CCCH₂Br, C₅H₁₁CCBr, CH₃(CH₂)₆OH, HCC(CH₂)₅OH, CH₃CC(CH₂)₄OH, C₂H₅CC(CH₂)₃OH, C₃H₇CC(CH₂)₂OH, C₄H₉CCCH₂OH, CH₃(CH₂)₆CN₂ HCC(CH₂)₅CN, CH₃CC(CH₂)₄CN, C₂H₅CC(CH₂)₃CN, C₃H₇CC(CH₂)₂CN, C₄H₉CCCH₂CN, C₅H₁₁CCCN, CH₃ (CH₂)₆CO₂CH₃, HCC(CH₂)₅CO₂CH₃, CH₃, C(CH₂)₄CO₂CH₃, C₂H₅CC(CH₂)₃CO₂CH₃, C₃H₇CC(CH₂)₂CO₂CH₃, C₄H₉CCCH₂CO₂CH₃, C₅H₁₁CCCO₂CH₃ are presented. The intensity of the CC band is observed to vary greatly. The band is most intense when the triple bond is near the end of the chain. If the triple bond is three or more positions from the end, the band is scarcely detectable.

Journal of the American Chemical Society published new progress about 81216-14-0. 81216-14-0 belongs to bromides-buliding-blocks, auxiliary class Linker,PROTAC Linker, name is 7-Bromohept-1-yne, and the molecular formula is C6H13BO3, Product Details of C7H11Br.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Sharma, G. D. published the artcileDithienylthienothiadiazole-based organic dye containing two cyanoacrylic acid anchoring units for dye-sensitized solar cells, Recommanded Product: 2,5-Dibromo-3,4-dinitrothiophene, the publication is RSC Advances (2012), 2(30), 11457-11464, database is CAplus.

A new dithienylthienothiadiazole-based organic dye (D) was synthesized by a seven-step synthetic route for use as a sensitizer in dye sensitized solar cells (DSSCs). The dye contains a dithienylthienothiadiazole central unit and two cyanoacrylic acid anchoring side groups. Optical and electrochem. properties of D were evaluated. In addition, d. functional theory (DFT) and time dependent d. functional theory (TD-DFT) calculations were carried out. A favorable electronic excitation from the HOMO (HOMO) to the LUMO (LUMO) indicated that the dye can be used as a sensitizer for DSSC applications. The photovoltaic properties of laboratory scale optimized DSSCs sensitized with D showed a power conversion efficiency (PCE) of 4.22%, which was further improved to 5.47% upon the addition of chenodeoxylic acid (CDCA) as a coadsorbant.

RSC Advances published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C2H8Cl2N4S2, Recommanded Product: 2,5-Dibromo-3,4-dinitrothiophene.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Balczewski, Piotr published the artcilePhosphorus containing radicals. 1. Free radical reaction of α-haloalkylphosphonates with alkenes and alkynes: a new approach to modified phosphonates, Product Details of C5H12BrO3P, the publication is Synthesis (1995), 392-6, database is CAplus.

A new approach to the synthesis of phosphonates functionalized in the α- and γ-phosphonate positions by alkyl, ethoxy, butoxy, acetoxy, acetyl and cyanide groups and allylphosphonate is described. It is based on the radical reaction of α-halosubstituted phosphonates (EtO)₂P(O)CHR¹X (1, R¹ = H, Me, X = Cl, Br, I) with the terminally unsubstituted alkenes (1-heptene, ethoxyethene, butoxyethene, acetoxyethene, acrylonitrile, Me vinyl ketone) and alkyne (hept-1-yne). The reaction involving the tin hydride method (Bu₃SnH/AlBN) was more effective with alkenes than with alkynes (40-72% vs. 20-30%). With electron-rich alkenes, chloro- and bromomethylphosphonates 1 (X = Cl, Br) gave higher yields than iodomethylphosphonate 1 (X = I). Di-Et methylphosphonate, as a reduction product of 1, accompanied in the above reactions. The yield of di-Et methylphosphonate could be reduced by optimizing the reaction conditions.

Synthesis published new progress about 66197-72-6. 66197-72-6 belongs to bromides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyl (bromomethyl)phosphonate, and the molecular formula is C5H12BrO3P, Product Details of C5H12BrO3P.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Sommers, Kyle J. published the artcileQuaternary Phosphonium Compounds: An Examination of Non-Nitrogenous Cationic Amphiphiles That Evade Disinfectant Resistance, Application In Synthesis of 143-15-7, the publication is ACS Infectious Diseases (2022), 8(2), 387-397, database is CAplus and MEDLINE.

Quaternary ammonium compounds (QACs) serve as mainstays in the formulation of disinfectants and antiseptics. However, an over-reliance and misuse of our limited QAC arsenal has driven the development and spread of resistance to these compounds, as well as co-resistance to common antibiotics. Extensive use of these compounds throughout the COVID-19 pandemic thus raises concern for the accelerated proliferation of antimicrobial resistance and demands for next-generation antimicrobials with divergent architectures that may evade resistance. To this end, we endeavored to expand beyond canonical ammonium scaffolds and examine quaternary phosphonium compounds (QPCs). Accordingly, a synthetic and biol. investigation into a library of novel QPCs unveiled biscationic QPCs to be effective antimicrobial scaffolds with improved broad-spectrum activities compared to com. QACs. Notably, a subset of these compounds was found to be less effective against a known QAC-resistant strain of MRSA. Bioinformatic anal. revealed the unique presence of a family of small multiresistant transporter proteins, hypothesized to enable efflux-mediated resistance to QACs and QPCs. Further investigation of this resistance mechanism through efflux-pump inhibition and membrane depolarization assays illustrated the superior ability of P6P-10,10 to perturb the cell membrane and exert the observed broad-spectrum potency compared to its com. counterparts. Collectively, this work highlights the promise of biscationic phosphonium compounds as next-generation disinfectant mols. with potent bioactivities, thereby laying the foundation for future studies into the synthesis and biol. investigation of this nascent antimicrobial class.

ACS Infectious Diseases published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C15H14Cl2S2, Application In Synthesis of 143-15-7.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Sommers, Kyle J. published the artcileQuaternary Phosphonium Compounds: An Examination of Non-Nitrogenous Cationic Amphiphiles That Evade Disinfectant Resistance, Category: bromides-buliding-blocks, the publication is ACS Infectious Diseases (2022), 8(2), 387-397, database is CAplus and MEDLINE.

Quaternary ammonium compounds (QACs) serve as mainstays in the formulation of disinfectants and antiseptics. However, an over-reliance and misuse of our limited QAC arsenal has driven the development and spread of resistance to these compounds, as well as co-resistance to common antibiotics. Extensive use of these compounds throughout the COVID-19 pandemic thus raises concern for the accelerated proliferation of antimicrobial resistance and demands for next-generation antimicrobials with divergent architectures that may evade resistance. To this end, we endeavored to expand beyond canonical ammonium scaffolds and examine quaternary phosphonium compounds (QPCs). Accordingly, a synthetic and biol. investigation into a library of novel QPCs unveiled biscationic QPCs to be effective antimicrobial scaffolds with improved broad-spectrum activities compared to com. QACs. Notably, a subset of these compounds was found to be less effective against a known QAC-resistant strain of MRSA. Bioinformatic anal. revealed the unique presence of a family of small multiresistant transporter proteins, hypothesized to enable efflux-mediated resistance to QACs and QPCs. Further investigation of this resistance mechanism through efflux-pump inhibition and membrane depolarization assays illustrated the superior ability of P6P-10,10 to perturb the cell membrane and exert the observed broad-spectrum potency compared to its com. counterparts. Collectively, this work highlights the promise of biscationic phosphonium compounds as next-generation disinfectant mols. with potent bioactivities, thereby laying the foundation for future studies into the synthesis and biol. investigation of this nascent antimicrobial class.

ACS Infectious Diseases published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C7H7ClN2S, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Auwers, K. published the artcileDicarboxylic acids, C₈H₁₄O₄, Application In Synthesis of 56970-78-6, the publication is Berichte der Deutschen Chemischen Gesellschaft, 3005, database is CAplus.

Of the two acids obtained by the action of silver on ethyl α-bromisobutyrate (Abstract, 1889, 1145), the volatile acid is tetramethylsuccinic acid, whilst the non-volatile acid is symmetrical dimethyladipic acid, C₂H₄(CHMe.COOH)₂ (compare Zelinsky, preceding abstract). According to Hell (Ber., 10, 2229), a portion of the α-bromisobutyric acid decomposes into hydrogen bromide and methylacrylic acid, which unite, according to Fittig and Engelhorn (Annalen, 200, 65), to form β-bromisobutyric acid. The normal product of the action of silver on the latter would be the above dimethyladipic acid. In order to test the correctness of this view, the authors are studying β-bromisobutyric acid and especially its behaviour towards silver.

Berichte der Deutschen Chemischen Gesellschaft published new progress about 56970-78-6. 56970-78-6 belongs to bromides-buliding-blocks, auxiliary class Bromide,Carboxylic acid,Aliphatic hydrocarbon chain,Inhibitor, name is 3-Bromo-2-methylpropanoic acid, and the molecular formula is C4H7BrO2, Application In Synthesis of 56970-78-6.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Larsen, John W. published the artcileThermodynamic stabilities of some cyclic halonium ions in magic acid, SDS of cas: 594-81-0, the publication is Journal of the American Chemical Society (1972), 94(5), 1614-19, database is CAplus.

The heats of formation of a series of methyl-substituted ethylene- and tetramethylene-bromonium ions and a chloronium ion from the appropriate dihaloalkane precursors were measured calorimetrically in 11.5 mole % SbF5-F SO3H at -60°. The tetramethylenebromonium ions are about as stable as the tert-Bu cation and are ∼10 kcal/mole more stable than a correspondingly substituted ethylenebromonium ion. The tetramethylenechloronium ion is ∼7.5 kcal/mole less stable than its bromo analog. The interaction of a Me group with a 3-membered ring is unusually favorable.

Journal of the American Chemical Society published new progress about 594-81-0. 594-81-0 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 2,3-Dibromo-2,3-dimethylbutane, and the molecular formula is C6H12Br2, SDS of cas: 594-81-0.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Shu, Wei published the artcileVisible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes, Quality Control of 401-55-8, the publication is ACS Catalysis (2018), 8(7), 6401-6406, database is CAplus.

A photoinduced cascade strategy is presented here for the remote functionalization of alkenes under redox neutral conditions. A broad portfolio of alkyl groups has been added to double bonds to produce, upon 1,5-HAT, remote C-centered radicals which can be harvested in the presence of O- or C-nucleophiles to efficiently form Csp³-O and Csp³-Csp² bonds at room temperature

ACS Catalysis published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C5H6N2O2, Quality Control of 401-55-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary