Month: October 2022

Related Products of 1779-49-3In 2019 ,《Effect of the Substituent Position on the Anionic Copolymerization of Styrene Derivatives: Experimental Results and Density Functional Theory Calculations》 appeared in Macromolecules (Washington, DC, United States). The author of the article were Johann, Tobias; Leibig, Daniel; Grune, Eduard; Mueller, Axel H. E.; Frey, Holger. The article conveys some information:

In a combined synthetic, kinetic and theor. study, the living anionic copolymerization of styrene and its ring-methylated derivatives ortho-, meta-, and para-methylstyrene (MS) was examined by real-time 1H NMR spectroscopy in the nonpolar solvents toluene-d8 and cyclohexane-d12 as well as by d. functional theory calculations Based on the NMR kinetics data, reactivity ratios for each comonomer pair were determined by the Kelen-Tudos method and numerical integration of the copolymerization equation (Contour software). The reaction pathway was modeled and followed by d. functional theory (DFT) calculations to validate and predict the exptl. derived reactivity ratios. Unexpectedly, two of the three styrene derivatives showed completely different reactivities in copolymerization, governed by the position of the Me group. While para-MS is considerably less reactive than styrene, resulting in gradient copolymers (rS = 2.62; rpMS = 0.37), ortho-MS showed the opposite behavior and is more reactive than styrene (rS = 0.44; roMS = 2.47), leading to a reversal of the copolymers’ gradient. The substitution in the meta-position had nearly no influence on monomer reactivity, and copolymers with close to random comonomer distribution were formed (rS = 0.81; rmMS = 1.21). In all cases, the theor. calculations showed good to excellent agreement with the exptl. data. Monomer reactivities correlate with the chem. shifts of the β-carbon signals in 13C NMR spectra that are predictive for the gradient structure. The results demonstrate the possibility of tailoring and validating the polymer structures of functional polystyrene copolymers by the choice of the substitution pattern of styrene derivatives, using both exptl. and theor. approaches. In the part of experimental materials, we found many familiar compounds, such as Methyltriphenylphosphonium bromide(cas: 1779-49-3Related Products of 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is a lipophilic molecule with a cation allowing for it to be used to deliver molecules to specific cell components. Also considered an antineoplastic agent.Related Products of 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

COA of Formula: Br3InIn 2020 ,《A radical-mediated 1,3,4-trifunctionalization cascade of 1,3-enynes with sulfinates and tert-butyl nitrite: facile access to sulfonyl isoxazoles》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Yue, Xin; Hu, Ming; He, Xingyi; Wu, Shuang; Li, Jin-Heng. The article contains the following contents:

An unprecedented indium-promoted three-component 1,3,4-trifunctionalization cascade of 1,3-enynes with sodium sulfinates and tert-Bu nitrite (TBN) to access 5-sulfonylisoxazoles I [R1 = Ph, 3-thienyl, CH2OCOPh, etc.; R2 = H, Me; R3 = Me, cyclopropyl, Ph, etc.] via [3+2] annulation was reported. By employing TBN as both the radical initiator and the N-O two atom unit, this method enabled the formation of three new carbon-heteroatom bonds, C-S, C-N and C-O bonds, in a single reaction through a sequence of sulfonylation, isomerization, nitration and annulation with a broad substrate scope, excellent selectivity and the potential of late-stage functionalization of natural products. The experimental process involved the reaction of Indium(III) bromide(cas: 13465-09-3COA of Formula: Br3In)

Indium(III) bromide(cas: 13465-09-3) is used as a catalyst to produce dithioacetals when unactivated alkynes react with thiols and fields such as optics and microelectronics that utilize semiconductor technology have wide uses for indium in high-performing solar cells.COA of Formula: Br3In

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Name: 1,4-Bis(bromomethyl)benzeneIn 2019 ,《Tetraphenylethene-based tetracationic cyclophanes and their selective recognition for amino acids and adenosine derivatives in water》 was published in Chemical Communications (Cambridge, United Kingdom). The article was written by Cheng, Lin; Zhang, Haiyang; Dong, Yunhong; Zhao, Yanxia; Yu, Yang; Cao, Liping. The article contains the following contents:

Two new tetracationic cyclophanes 1 and 2 containing tetraphenylethene and bipyridinium moieties were synthesized via a two-step SN2 reaction. These water-soluble cyclophanes with a cationic and hydrophobic cavity exhibited selective recognition for amino acids (e.g. tryptophan) and adenosine derivatives (e.g.ATP) via electrostatic and π-π interactions in water. In addition to this study using 1,4-Bis(bromomethyl)benzene, there are many other studies that have used 1,4-Bis(bromomethyl)benzene(cas: 623-24-5Name: 1,4-Bis(bromomethyl)benzene) was used in this study.

1,4-Bis(bromomethyl)benzene(cas: 623-24-5) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Name: 1,4-Bis(bromomethyl)benzene Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

COA of Formula: C4H2Br2SIn 2021 ,《Synthesis of thiophene-benzodithiophene wide bandgap polymer and GIWAXS evaluation of thermal annealing with potential for application in ternary polymer solar cells》 was published in Polymers for Advanced Technologies. The article was written by Rubio Arias, Jose Jonathan; Mota, Isabela Custodio; Vieira Marques, Maria De Fatima. The article contains the following contents:

Conjugated polymers are a special type of material responsible for light absorption in polymer solar cells. The absorption of these materials plays an important role in photon harvesting and energy conversion. Ternary organic solar cells are a type of OPV that combines two-electron donors with complementary absorption in a single layer. The present work deals with the synthesis and characterization of a high-bandgap polymer prepared through the alternation of two high-electron d. aromatic units (thiophene-benzodithiophene). This polymer presented high bandgap (2.1 eV) with potential for complementary absorption in a ternary device, as well as high Voc when applied in a single junction inverted OPV device in heterojunction with PC70BM (0.95 V), which agrees with the relatively large energy difference between its HOMO and the LUMO of PC70BM determined through CV and UV-vis. A dynamic GIWAXS study was performed and demonstrated that for this polymer, increasing annealing temperature to 80°C can increase its crystalline organization by up to 50%. In addition to this study using 2,5-Dibromothiophene, there are many other studies that have used 2,5-Dibromothiophene(cas: 3141-27-3COA of Formula: C4H2Br2S) was used in this study.

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene polymerizes by debromination with magnesium catalyzed by nickel compounds to form poly(2,5- thienylene) .COA of Formula: C4H2Br2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 1952,Journal of the American Chemical Society included an article by Erickson, J. L. E.; Dechary, J. M.; Pullig, T. R.. Synthetic Route of C7H4BrNO4. The article was titled 《Bromo-2-nitrobenzoic acids》. The information in the text is summarized as follows:

Synthetic methods of preparation for the 4 isomeric bromo-2-nitrobenzoic acids are described. 3-Bromo-2-nitrobenzoic acid was prepared by deamination of a new compound, 5-bromo-6-nitroanthranilic acid, m. 201-2.5° [from bromination of 6,2-O2N(H2N)C6H3CO2H]. The synthesis of 4-bromo-2-nitrobenzoic acid was accomplished by the hydrolysis of 4-bromo-2-nitrobenzonitrile and also by the oxidation of 4-bromo-2-nitrotoluene. 5-Bromo-2-nitrobenzoic acid was prepared by the nitration of m-bromobenzoic acid, an old method. 6-Bromo-2-nitrobenzoic acid, m. 177.3-7.5°, a new compound, was obtained in excellent yield from 6-nitroanthranilic acid. After reading the article, we found that the author used 3-Bromo-2-nitrobenzoic acid(cas: 116529-61-4Synthetic Route of C7H4BrNO4)

3-Bromo-2-nitrobenzoic acid(cas: 116529-61-4) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Synthetic Route of C7H4BrNO4 Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Pucheault, Mathieu; Darses, Sylvain; Genet, Jean-Pierre published their research in Journal of the American Chemical Society on December 1 ,2004. The article was titled 《Direct access to ketones from aldehydes via rhodium-catalyzed cross-coupling reaction with potassium trifluoro(organo)borates》.Recommanded Product: 374564-34-8 The article contains the following contents:

A direct cross-coupling reaction of aromatic aldehydes with potassium trifluoro(organo)borates afforded diaryl ketones in high yields and under mild conditions in the presence of a rhodium catalyst and acetone. This reaction, involving a formal aldehyde C-H bond activation, is believed to proceed via a Heck-type mechanism followed by hydride transfer to acetone. In the experiment, the researchers used many compounds, for example, potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8Recommanded Product: 374564-34-8)

potassium (3-bromophenyl)trifluoroborate(cas: 374564-34-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. Recommanded Product: 374564-34-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Whidbey, Christopher; Sadler, Natalie C.; Nair, Reji N.; Volk, Regan F.; DeLeon, Adrian J.; Bramer, Lisa M.; Fansler, Sarah J.; Hansen, Joshua R.; Shukla, Anil K.; Jansson, Janet K.; Thrall, Brian D.; Wright, Aaron T.. Application In Synthesis of (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate. The article was titled 《A Probe-Enabled Approach for the Selective Isolation and Characterization of Functionally Active Subpopulations in the Gut Microbiome》. The information in the text is summarized as follows:

Commensal microorganisms in the mammalian gut play important roles in host health and physiol., but a central challenge remains in achieving a detailed mechanistic understanding of specific microbial contributions to host biochem. New function-based approaches are needed that analyze gut microbial function at the mol. level by coupling detection and measurements of in situ biochem. activity with identification of the responsible microbes and enzymes. The authors developed a platform employing β-glucuronidase selective activity-based probes to detect, isolate, and identify microbial subpopulations in the gut responsible for this xenobiotic metabolism Metabolic activity of gut microbiota can be plastic and between individuals and during perturbation, phylogenetically disparate populations can provide β-glucuronidase activity. The authors’ work links biochem. activity with mol.-scale resolution without relying on genomic inference. In the experimental materials used by the author, we found (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(cas: 21085-72-3Application In Synthesis of (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate)

(2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(cas: 21085-72-3) may be used for the synthesis of HMR1098-S-Glucuronide Methyl Ester, a new K-ATP-blocking agent being developed as a drug for prevention of sudden cardiac death.Application In Synthesis of (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,Journal of the American Chemical Society included an article by Sandford, Christopher; Fries, Lydia R.; Ball, Tyler E.; Minteer, Shelley D.; Sigman, Matthew S.. Computed Properties of C9H9BrO2. The article was titled 《Mechanistic Studies into the Oxidative Addition of Co(I) Complexes: Combining Electroanalytical Techniques with Parameterization》. The information in the text is summarized as follows:

The oxidative addition of organic electrophiles into electrochem. generated Co(I) complexes has been widely utilized as a strategy to produce carbon-centered radicals when cobalt is ligated by a polydentate ligand. Changing to a bidentate ligand provides the opportunity to access discrete Co(III)-C bonded complexes for alternative reactivity, but knowledge of how ligand and/or substrate structures affect catalytic steps is pivotal to reaction design and catalyst optimization. In this vein, exptl. studies that can determine the exact nature of elementary organometallic steps remain limited, especially for single-electron oxidative addition pathways. Herein, we utilize cyclic voltammetry combined with simulations to obtain kinetic and thermodn. properties of the two-step, halogen-atom abstraction mechanism, validated by analyzing kinetic isotope and substituent effects. Complex Hammett relationships could be disentangled to allow understanding of individual effects on activation energy barriers and equilibrium constants, and DFT-derived parameters used to build predictive statistical models for rates of new ligand/substrate combinations. In the experiment, the researchers used many compounds, for example, Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Computed Properties of C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Organobromine compounds are produced naturally by marine creatures (sponges, corals, sea slugs, tunicates, sea fans) and seaweed, plants, fungi, lichen, algae, bacteria, microbes, and some mammals. Computed Properties of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Development of BODIPY dyes with versatile functional groups at 3,5-positions from diacyl peroxides via Cu(II)-catalyzed radical alkylation》 were Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Recommanded Product: 4-Bromobutanoic acid The author mentioned the following in the article:

An efficient Cu(II)-catalyzed, C-H alkylation of BODIPY with a variety of alkyl diacyl peroxides has been developed for the first time, providing a late-stage and straightforward method for controllable synthesis of monoalkylated and dialkylated BODIPYs via a radical process that otherwise is difficult to obtain by literature methods. This chemo- and site-selective transformation will allow for the introduction of a variety of functionalities on the BODIPY core for highly versatile tethering to receptors and to other mols. of interest. After reading the article, we found that the author used 4-Bromobutanoic acid(cas: 2623-87-2Recommanded Product: 4-Bromobutanoic acid)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Recommanded Product: 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Development of thiazolidinedione-based HDAC6 inhibitors to overcome methamphetamine addiction》 were Sharma, Chiranjeev; Oh, Yong Jin; Park, Byoungduck; Lee, Sooyeun; Jeong, Chul-Ho; Lee, Sangkil; Seo, Ji Hae; Seo, Young Ho. And the article was published in International Journal of Molecular Sciences in 2019. Computed Properties of C9H9BrO2 The author mentioned the following in the article:

Thiazolidinedione is a five-membered heterocycle that is widely used in drug discovery endeavors. In this study, we report the design, synthesis, and biol. evaluation of a series of thiazolidinedione-based HDAC6 inhibitors. In particular, compound 6b exerts an excellent inhibitory activity against HDAC6 with an IC50 value of 21 nM, displaying a good HDAC6 selectivity over HDAC1. Compound 6b dose-dependently induces the acetylation level of alpha-tubulin via inhibition of HDAC6 in human neuroblastoma SH-SY5Y cell line. Moreover, compound 6b efficiently reverses methamphetamine-induced morphol. changes of SH-SY5Y cells via regulating acetylation landscape of α-tubulin. Collectively, compound 6b represents a novel HDAC6-isoform selective inhibitor and demonstrates promising therapeutic potential for the treatment of methamphetamine addiction. The results came from multiple reactions, including the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Computed Properties of C9H9BrO2)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Organobromine chemicals are produced naturally by an array of biological and other chemical processes in our environment. Some of these compounds are identical to man-made organobromine compounds, such as methyl bromide, bromoform, and bromophenols, but many others are entirely new moleclar entities, often possessing extraordinary and important biological properties. Computed Properties of C9H9BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary