Month: October 2022

Ding, Li; Wang, Zi-Yuan; Yao, Ze-Fan; Liu, Nai-Fu; Wang, Xin-Yi; Zhou, Yang-Yang; Luo, Longfei; Shen, Zhihao; Wang, Jie-Yu; Pei, Jian published their research in Macromolecules (Washington, DC, United States) in 2021. The article was titled 《Controllable Transformation between the Kinetically and Thermodynamically Stable Aggregates in a Solution of Conjugated Polymers》.Formula: C4H2Br2S The article contains the following contents:

The aggregation behaviors of conjugated polymers significantly influence their performance in solution-processed optoelec. devices. Traditionally, the formation of aggregates from the self-assembly of conjugated polymers is considered as a thermodn. equilibrium process. The abundant degree of conformation freedom of conjugated polymers might lead to complex aggregation behaviors in solution However, the energy landscape of conjugated polymers during aggregation has rarely been studied before, which would provide the energetic and structural information about different aggregates. Our work tried to unravel the energy landscape of conjugated polymers during aggregation and investigate the energetic and structural information of the thermodynamically and kinetically stable aggregates in solution Herein, kinetically and thermodynamically stable aggregates of naphthalene diimide (NDI)-based polymers are obtained through rational mol. design and thermodn. control. Investigation of the theor. calculation, photophys. properties, and morphologies of the conjugated polymers demonstrates the formation of and differences between kinetically and thermodynamically stable aggregates. The energetic and structural anal. of kinetically and thermodynamically stable aggregates here provide insight into the relations among the structure, morphol., and properties of conjugated polymers at the mol. level. This work demonstrates the energy landscape of conjugated polymers during aggregation and further extends our understanding of the aggregation mechanisms. The results came from multiple reactions, including the reaction of 2,5-Dibromothiophene(cas: 3141-27-3Formula: C4H2Br2S)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used in the preparation of soluble α,ω-diformyl-a-oligothiophenes.Formula: C4H2Br2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kircher, Theresa; Pantsar, Tatu; Oder, Andreas; Peter von Kries, Jens; Juchum, Michael; Pfaffenrot, Bent; Kloevekorn, Philip; Albrecht, Wolfgang; Selig, Roland; Laufer, Stefan published an article in 2021. The article was titled 《Design and synthesis of novel fluorescently labeled analogs of vemurafenib targeting MKK4》, and you may find the article in European Journal of Medicinal Chemistry.SDS of cas: 586-76-5 The information in the text is summarized as follows:

The azaindole-based scaffold of FDA-approved BRAF inhibitor vemurafenib 1, which displays off-target activity on mitogen-activated protein kinase kinase 4 (MKK4), as a starting point in fluorescent compound design was utilized. Chem. variation of the scaffold and optimization led to a selection of fluorescent 5-TAMRA derivatives I (R = Pr, benzyl; R1 = -NHC(O)-, -C(O)NH-; X = CH; Y = N, CH; n = 1, 4), II (R = n-propyl; R1 = -NHC(O)-, -C(O)NH-; X = CH, N; Y = CH, N; n = 1-6) which possess high binding affinities on MKK4. Compound II (R = n-propyl; R1 = -NHC(O)-; X = CH; Y = N; n = 4) represents a suitable tool compound for fluorescence polarization assays to identify new small-mol. inhibitors of MKK4.4-Bromobenzoic acid(cas: 586-76-5SDS of cas: 586-76-5) was used in this study.

4-Bromobenzoic acid(cas: 586-76-5) has been used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography.SDS of cas: 586-76-5 It was used in bromine-specific detection of the metabolites of 2-,3-and 4-bromobenzoic acid in the urine and bile of rats by inductively coupled plasma mass spectrometry.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kim, Seunghyun; Kang, Seokwoo; Parkit, Jongwook published an article in 2021. The article was titled 《Synthesis and electro-optical property of green fluorescent emitter based on anthracene core and optimized side groups》, and you may find the article in Journal of Nanoscience and Nanotechnology.Reference of 9,10-Dibromoanthracene The information in the text is summarized as follows:

New green emitter is designed and synthesized by selecting anthracene having high photoluminescence quantum yield (PLQY) and diphenylamine side group substituted Me and t-Bu group: N9, N10-bis(5-(tert-butyl)-2-methylphenyl)-N9, N10-bis(2,4-dimethylphenyl)anthracene-9,10-diamine (3Me-1Bu-TPADA). Photophys., electrochem., and electroluminescent (EL) properties of 3Me-1Bu-TPADA were investigated. The maximum photoluminescence (PL) emission wavelengths of 3Me-1Bu-TPADA in solution and in a film were 528 nm and 531 nm, resp. 3Me-1Bu-TPADA has excellent thermal properties with glass transition temperatures (Tg) of 110 °C, melting temperatures (Tm) of 217 °C of, and degradation temperature (Tg) of 330 °C. 3Me-1Bu-TPADA was used as an emitting layer in non-doped devices: ITO/2-TNATA (60 nm)/NPB (15 nm)/3Me-1Bu-TPADA (30 nm)/Alq3 (30 nm)/LiF (1 nm)/Al (200 nm). The 3Me-1Bu-TPADA device showed luminance efficiency of 6.05 cd/A, EQE of 2.68% at 10 mA/cm2. In the part of experimental materials, we found many familiar compounds, such as 9,10-Dibromoanthracene(cas: 523-27-3Reference of 9,10-Dibromoanthracene)

9,10-Dibromoanthracene(cas: 523-27-3) is synthesized by the bromination of anthracene. The bromination reaction is carried out at room temperature using carbon tetrachloride as a solvent. Using 80-85% anthracene as raw material, adding bromine to react for half an hour, the yield is 83-88%.Reference of 9,10-Dibromoanthracene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Toscani, Anita; Hind, Charlotte; Clifford, Melanie; Kim, Seong-Heun; Gucic, Antonia; Woolley, Charlotte; Saeed, Naima; Rahman, Khondaker Miraz; Sutton, J. Mark; Castagnolo, Daniele published an article in 2021. The article was titled 《Development of photoactivable phenanthroline-based manganese(I) CO-Releasing molecules (PhotoCORMs) active against ESKAPE bacteria and bacterial biofilms》, and you may find the article in European Journal of Medicinal Chemistry.Quality Control of Bromopentacarbonylmanganese(I) The information in the text is summarized as follows:

The synthesis and biol. evaluation of a series of phenanthroline-based visible-light-activated manganese(I) carbon-monoxide-releasing mols. (PhotoCORMs) against ESKAPE bacteria and bacterial biofilms is reported. Four carbonyl compounds of general formula fac-[Mn(NN)(CO)3(L)] have been synthesized and characterized. Despite being thermally stable in the absence of light, these PhotoCORMs readily release CO upon blue (435-450 nm) LED light irradiation as confirmed by spectrophotometric CO releasing experiments (Mb Assay). The antibacterial activity of the four PhotoCORMs has been investigated against a panel of ESKAPE bacteria. The compoundsI[ bromo 1,10-phenanthroline-5-amine, bromo 1,10-phenanthroline-5,6-dione, azido 1,10-phenanthroline-5,6-dione] were found to be effective antibacterials at low concentrations against multidrug-resistant Klebsiella pneumoniae and Acinetobacter baumannii when photoactivated with blue-light. In addition, the PhotoCORMs I[ bromo 1,10-phenanthroline-5-amine, bromo 1,10-phenanthroline-5,6-dione] were found to inhibit the formation of Klebsiella pneumoniae and Acinetobacter baumannii bacterial biofilms at low concentrations (MIC = 4-8 μg/mL), turning out to be promising candidates to combat antimicrobial resistance. The antibacterial and biofilm inhibitory effect of the PhotoCORMs is plausibly due to the release of CO as well as the formation of phenanthroline photo-byproducts as revealed by spectroscopy and microbiol. experiments In the part of experimental materials, we found many familiar compounds, such as Bromopentacarbonylmanganese(I)(cas: 14516-54-2Quality Control of Bromopentacarbonylmanganese(I))

Bromopentacarbonylmanganese(I)(cas: 14516-54-2) has many other uses. It is used in the formation of (eta6-arene)tricarbonylmanganese(I) by reacting with arene (arene= hexamethyl benzene, 1,2,4,5-tetramethyl benzene, mesitylene, p-xylene and toluene) in the presence silver salt.Quality Control of Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yang, Peng-Fei; Shu, Wei published an article in 2022. The article was titled 《Orthogonal Access to α-/β-Branched/Linear Aliphatic Amines by Catalyst-Tuned Regiodivergent Hydroalkylations》, and you may find the article in Angewandte Chemie, International Edition.HPLC of Formula: 7051-34-5 The information in the text is summarized as follows:

Herein, a catalyst-controlled synthesis of α-branched e.g., N-(1-phenylpentan-3-yl)benzamide, β-branched e.g., N-(2-methyl-4-phenylbutyl)benzamide and linear aliphatic amines e.g., N-(5-phenylpentyl)benzamide from Ni/Co-catalyzed regio- and site-selective hydroalkylations of alkenyl amines e.g., N-(prop-2-en-1-yl)benzamide with alkyl halides RX (R = butan-2-yl, Bn, 2-phenylethyl, 2-(1,3-dioxolan-2-yl)ethyl, etc.; X = I, Br) is developed. This catalytic protocol features the reliable prediction and control of the coupling position of alkylation to provide orthogonal access to α-branched, β-branched and linear alkyl amines from identical starting materials. This platform unlocks orthogonal reactivity and selectivity of nickel hydride and cobalt hydride chem. to catalytically repurpose three types of alkyl amines under mild conditions. In the part of experimental materials, we found many familiar compounds, such as (Bromomethyl)cyclopropane(cas: 7051-34-5HPLC of Formula: 7051-34-5)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.HPLC of Formula: 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Primer, David N.; Yong, Kelvin; Ramirez, Antonio; Kreilein, Matthew; Ferretti, Antonio C.; Ruda, Antonio M.; Fleary-Roberts, Nadia; Moseley, Jonathan D.; Forsyth, Sian M.; Evans, Graham R.; Traverse, John F. published an article in Organic Process Research & Development. The title of the article was 《Development of a Process to a 4-Arylated 2-Methylisoquinolin-1(2H)-one for the Treatment of Solid Tumors: Lessons in Ortho-Bromination, Selective Solubility, Pd Deactivation, and Form Control》.Quality Control of (Bromomethyl)cyclopropane The author mentioned the following in the article:

Presented an optimized, scalable synthesis of bromodomain and extra-terminal (BET) inhibitor BMS-986378 (CC-90010). The original route and process 1A was 7 steps with 33.8% yield and featured numerous problematic solvents, process safety concerns, difficult to scale unit operations and challenging to control impurities. Reaction optimization to remove or mitigate these challenges resulted in first scale-up route and process, 2A. Subsequent challenges encountered on scale-up of route and process 2A warranted the creation and implementation of an enhanced process, which eliminated dichloromethane from a phenol bromination, improved catalyst performance in the penultimate cross-coupling and finally developed a concomitant solvent charging process for form control in the final API crystallization The resulting scale-up route and process, 2B, were demonstrated on a >50 kg scale and afforded the final product in 49% yield over 7 steps in >99.9% assay and area purity, meeting all ICH requirements for quality. In the experiment, the researchers used many compounds, for example, (Bromomethyl)cyclopropane(cas: 7051-34-5Quality Control of (Bromomethyl)cyclopropane)

(Bromomethyl)cyclopropane(cas: 7051-34-5) is used as a synthetic building block for the introduction of the cyclopropylmethyl group. It was also used in the synthesis of 1,4-dienes via iron-catalyzed cross-coupling with alkenyl Grignard reagents.Quality Control of (Bromomethyl)cyclopropane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

COA of Formula: C8H15BrO2In 2019 ,《Solvolysis of acrylate-urethane coatings cured by electron-beam and UV radiation》 appeared in Progress in Organic Coatings. The author of the article were Sanchez-Cadena, Lorena E.; Tersac, Gilles; Coqueret, Xavier; Gamino-Arroyo, Zeferino. The article conveys some information:

Solvolysis was investigated for two different types of thermosetting polyacrylate-urethane resin coatings. One type of resin was cross-linked by ultra violet (UV) radiation and the other by electron beam (EB). The cured coatings were deposited on aluminum sheets. Solvolysis was carried out with diethylene glycol (DEG) catalyzed by KOH. The resins were characterized by FT-IR ATR spectroscopy prior to solvolysis. The kinetics of the solvolysis process were investigated, and the depolymerization products were studied by FT-IR ATR spectroscopy and size exclusion chromatog. The results show that total solvolysis is possible for both cured resins, albeit it is faster for resins cured by UV radiation. In the experimental materials used by the author, we found 8-Bromooctanoic acid(cas: 17696-11-6COA of Formula: C8H15BrO2)

8-Bromooctanoic acid(cas: 17696-11-6) acid is used in the synthesis of 8-(N-Methyl-4,4′-bipyridinyl)- octanoic acid. 8-Mercaptooctanoic acid was prepared from 8-bromooctanoic acid. And 8-Bromooctanoic Acid is a useful compound for sonodynamic therapy.COA of Formula: C8H15BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Reference of Methyl 3-(bromomethyl)benzoateIn 2017 ,《Design and synthesis of a series of L-trans-4-substituted prolines as selective antagonists for the ionotropic glutamate receptors including functional and X-ray crystallographic studies of new subtype selective kainic acid receptor subtype 1 (Gluk1) antagonist (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid》 appeared in Journal of Medicinal Chemistry. The author of the article were Krogsgaard-Larsen, Niels; Delgar, Claudia G.; Koch, Karina; Brown, Patricia M. G. E.; Moeller, Charlotte; Han, Liwei; Huynh, Tri H. V.; Hansen, Stinne W.; Nielsen, Birgitte; Bowie, Derek; Pickering, Darryl S.; Kastrup, Jette Sandholm; Frydenvang, Karla; Bunch, Lennart. The article conveys some information:

Ionotropic glutamate receptor antagonists are valuable tool compounds for studies of neurol. pathways in the central nervous system. On the basis of rational ligand design, a new class of selective antagonists, represented by (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid (I), for cloned homomeric kainic acid receptors subtype 1 (GluK1) was attained (Ki = 4 μM). In a functional assay, I displayed full antagonist activity with IC50 = 6 ± 2 μM. A crystal structure was obtained of I when bound in the ligand binding domain of GluK1. A domain opening of 13-14° was seen compared to the structure with glutamate, consistent with I being an antagonist. A structure-activity relationship study showed that the chem. nature of the tethering atom (C, O, or S) linking the pyrrolidine ring and the Ph ring plays a key role in the receptor selectivity profile and that substituents on the Ph ring are well accommodated by the GluK1 receptor. The experimental process involved the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Reference of Methyl 3-(bromomethyl)benzoate)

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. Reference of Methyl 3-(bromomethyl)benzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Recommanded Product: 1,4-Bis(bromomethyl)benzeneIn 2021 ,《Highly Proton Conductive Phosphoric Acid Porous Organic Polymers via Knitting Method》 appeared in Industrial & Engineering Chemistry Research. The author of the article were Zhu, Tianhao; Shi, Benbing; Wu, Hong; You, Xinda; Wang, Xiaoyao; Fan, Chunyang; Peng, Quan; Jiang, Zhongyi. The article conveys some information:

Phosphoric acid group, which possesses a low energy barrier for proton conduction and high water bonding energy, favors proton conduction and water retention. In this study, a phosphoric acid porous organic polymer (PAPOP) with high proton conductivity was synthesized. The di-Et benzylphosphonate (DBP) monomer and the benzyl monomer were directly knitted via the Friedel-Crafts alkylation reaction to form a porous scaffold. The phosphate ester group on DBP not only enhanced the monomer reactivity but also realized the in situ introduction of the phosphoric acid group precursor during the formation of the porous scaffold. It is found that p-dichloroxylene (DCX) monomer, due to its higher electrophilic activity, is easier to react with DBP and thus easier to introduce phosphoric acid groups. The higher ratio of DCX leads to a more continuous hydrogen-bond network within the scaffold, which facilitates the proton-conducting process. The resultant porous organic polymers exhibited high hydrophilicity and excellent stability in strong acid as well as antiswelling ability in water. The highest ion-exchange capacity reached 2.68 mmol g-1, much higher than that of most reported polymers. The proton conductivity of powders reached the highest value of 7.09 × 10-2 S cm-1 at 348 K and 98% relative humidity. 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: 623-24-5Recommanded Product: 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. Due to the reactivity of bromide, they are used as potential precursors or important intermediates in organic synthesis. Recommanded Product: 1,4-Bis(bromomethyl)benzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Reference of Methyl 3-bromopropanoateIn 2018 ,《Structure-activity relationships for inhibitors of Pseudomonas aeruginosa exoenzyme S ADP-ribosyltransferase activity》 appeared in European Journal of Medicinal Chemistry. The author of the article were Saleeb, Michael; Sundin, Charlotta; Aglar, Oeznur; Pinto, Ana Filipa; Ebrahimi, Mahsa; Forsberg, Aake; Schuler, Herwig; Elofsson, Mikael. The article conveys some information:

During infection, the Gram-neg. opportunistic pathogen Pseudomonas aeruginosa employs its type III secretion system to translocate the toxin exoenzyme S (ExoS) into the eukaryotic host cell cytoplasm. ExoS is an essential in vivo virulence factor that enables P. aeruginosa to avoid phagocytosis and eventually kill the host cell. ExoS elicits its pathogenicity mainly via ADP-ribosyltransferase (ADPRT) activity. The authors recently identified a new class of ExoS ADPRT inhibitors with in vitro IC50 of around 20 μM in an enzymic assay using a recombinant ExoS ADPRT domain. Herein, the authors report structure-activity relationships of this compound class by comparing a total of 51 compounds based on a thieno [2,3-d]pyrimidin-4(3H)-one and 4-oxo-3,4-dihydroquinazoline scaffolds. Improved inhibitors with in vitro IC50 values of 6 μM were identified. Importantly, the authors demonstrated that the most potent inhibitors block ADPRT activity of native full-length ExoS secreted by viable P. aeruginosa with an IC50 value of 1.3 μM in an enzymic assay. This compound class holds promise as starting point for development of novel antibacterial agents. The experimental process involved the reaction of Methyl 3-bromopropanoate(cas: 3395-91-3Reference of Methyl 3-bromopropanoate)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Reference of Methyl 3-bromopropanoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary