Tag: 100-200

In 2022,Tajammal, Affifa; Siddiqa, Aysha; Irfan, Ahmad; Azam, Muhammad; Hafeez, Huma; Munawar, Munawar Ali; Basra, Muhammad Asim Raza published an article in Journal of Molecular Structure. The title of the article was 《Antioxidant, molecular docking and computational investigation of new flavonoids》.Application of 6630-33-7 The author mentioned the following in the article:

Flavonoids are a group of polyphenolic compounds diverse in structure, biol. and pharmacol. functions possessing antioxidant potential. New flavonoids I (R = 2-Br, 4-Br), II (R = 3-Br, 4-Br), 2,5-(OH)2C6H3C(O)CH=CHC6H4R (III) (R = 2-Br, 3-Br), were synthesized by acid catalyzed condensation of bromo-benzaldehydes RC6H4CHO and 2,5-dihydroxyacetophenone. In vitro antioxidant potential of synthesized compounds was evaluated by 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging, 2,2′-azinobis-(3-ethylbenzthiazoline-6-sulfonate) cation (ABTS+) radical scavenging, iron chelating, iron reducing and phosphomolybdenum activity. The results revealed that DPPH radical scavenging and ABTS+scavenging activity of compounds III were better than reference compounds i.e., trolox and ascorbic acid. Furthermore, mol. docking was performed to check the affinity of flavonoids with Keap1 for the activation of antioxidant defense system of body and computational study was carried out by DFT approach using B3LYP functional and 6-31G** basis set. All the compounds showed better results compared to the reference compounds and mol. docking studies supported the computational results. In the experimental materials used by the author, we found o-Bromobenzaldehyde(cas: 6630-33-7Application of 6630-33-7)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.Application of 6630-33-7Synthetic applications of o-Bromobenzaldehyde include: synthesis of aza-fused polycyclic quinolines through copper-catalyzed cascade reaction, preparation of 1-substituted indazoles by CuI-catalyzed coupling with N-aryl hydrazides.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Koshino, Seitaro; Taniguchi, Tohru; Monde, Kenji; Kwon, Eunsang; Hayashi, Yujiro published their research in Chemistry – A European Journal in 2021. The article was titled 《Enantiodivergent One-Pot Synthesis of Axially Chiral Biaryls Using Organocatalyst-Mediated Enantioselective Domino Reaction and Central-to-Axial Chirality Conversion》.Product Details of 7073-94-1 The article contains the following contents:

Enantiodivergent one-pot synthesis of biaryls I (Ar = 2-O2NC6H4, 2-IC6H4, 1-naphthyl, etc.; R = H, 6-Br, 7-Br) from aryl aldehydes II and cinnamaldehydes ArCH:CHCHO has been developed using a catalytic amount of a single chiral source. A domino organocatalyst-mediated enantioselective Michael reaction and aldol condensation provided centrally chiral dihydronaphthalenes with excellent enantioselectivity, from which an enantiodivergent chirality conversion from central-to-axial chirality was achieved. Both enantiomers of biaryls I were obtained with excellent enantioselectivity. All transformations can be conducted in a single reaction vessel. A plausible reaction mechanism for the enantiodivergence is proposed. The results came from multiple reactions, including the reaction of 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Product Details of 7073-94-1)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) 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. Product Details of 7073-94-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Weglarz, Izabela; Michalak, Karol; Mlynarski, Jacek published their research in Advanced Synthesis & Catalysis in 2021. The article was titled 《Zinc-Catalyzed Asymmetric Hydrosilylation of Cyclic Imines: Synthesis of Chiral 2-Aryl-Substituted Pyrrolidines as Pharmaceutical Building Blocks》.Quality Control of 1-Bromo-2-isopropylbenzene The article contains the following contents:

The first successful enantioselective hydrosilylation of cyclic imines promoted by a chiral zinc complex was reported. In situ generated zinc-ProPhenol complex with silane afforded pharmaceutically relevant enantioenriched 2-aryl-substituted pyrrolidines in high yields and with excellent enantioselectivities (up to 99% ee). The synthetic utility of presented methodol. was demonstrated in an efficient synthesis of the corresponding chiral cyclic amines, being pharmaceutical drug precursors to the Aticaprant and Larotrectinib. After reading the article, we found that the author used 1-Bromo-2-isopropylbenzene(cas: 7073-94-1Quality Control of 1-Bromo-2-isopropylbenzene)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals.Quality Control of 1-Bromo-2-isopropylbenzene Organobromine compounds have fallen under increased scrutiny for their environmental impact.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wojcik-Pszczola, Katarzyna; Jankowska, Agnieszka; Slusarczyk, Marietta; Jakiela, Bogdan; Plutecka, Hanna; Pociecha, Krzysztof; Swierczek, Artur; Popiol, Justyna; Koczurkiewicz-Adamczyk, Paulina; Wyska, Elzbieta; Pekala, Elzbieta; Gosens, Reinoud; Chlon-Rzepa, Grazyna published their research in Bioorganic Chemistry in 2021. The article was titled 《Synthesis and in vitro evaluation of anti-inflammatory, antioxidant, and anti-fibrotic effects of new 8-aminopurine-2,6-dione-based phosphodiesterase inhibitors as promising anti-asthmatic agents》.Recommanded Product: Ethyl 4-bromobutyrate The article contains the following contents:

Phosphodiesterase inhibitors are currently an extensively studied group of compounds that can bring many benefits in the treatment of various inflammatory and fibrotic diseases, including asthma. Herein, we describe a series of novel N′-phenyl- or N′-benzylbutanamide and N′-arylidenebutanehydrazide derivatives of 8-aminopurine-2,6-dione (27-43) and characterized them as prominent pan-PDE inhibitors. Most of the compounds exhibited antioxidant and anti-inflammatory activity in LPS-induced murine macrophages RAW264.7. The most active compounds (32-35 and 38) were evaluated in human bronchial epithelial cells derived from asthmatics. To better map the bronchial microenvironment in asthma, HBECs after exposure to selected 8-aminopurine-2,6-dione derivatives were incubated in the presence of two proinflammatory and/or profibrotic factors: TGF-beta and IL-13. Detailed anal. of their inhibition preferences for selected PDEs showed high affinity for isoenzymes important in the pathogenesis of asthma, including PDE1, PDE3, PDE4, PDE7, and PDE8. The presented data confirm that structural modifications within the 7 and 8 positions of the purine-2,6-dione core result in obtaining preferable pan-PDE inhibitors which in turn exert an excellent anti-inflammatory and anti-fibrotic effect in the bronchial epithelial cells derived from asthmatic patients. This dual-acting pan-PDE inhibitors constitute interesting and promising lead structures for further anti-asthmatic agent discovery. The experimental part of the paper was very detailed, including the reaction process of Ethyl 4-bromobutyrate(cas: 2969-81-5Recommanded Product: Ethyl 4-bromobutyrate)

Ethyl 4-bromobutyrate(cas: 2969-81-5) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents.Recommanded Product: Ethyl 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2018,Al-Horaibi, Sultan A.; Gaikwad, S. T.; Rajbhoj, Anjali S. published 《Synthesis, characterizations, and comparative study of electro-optical properties of indole-based squaraine sensitizers as efficiency to enhancing dye-sensitized solar cells》.Advanced Materials Letters published the findings.SDS of cas: 3395-91-3 The information in the text is summarized as follows:

Squaraine dyes (SQ) have acquired sufficiently great attention as dye-sensitized solar cell (DSSCs) materials. In the present study, we have synthesized and characterized of two novel sym. sensitizers dyes for dye-sensitized solar cells which contain electron withdrawing (-COOH) group with long alkyl ester chain (SQ1) and another without encoring group (SQ2). We have investigated the structural, electronic, photo-electrochem., and charge transport properties of two SQ1& SQ2 indole-based squaraine dyes. The ground state geometry has been computed by applying d. functional theory (DFT). The excitation energy and the oscillator strength were calculated by using time-dependent (DFT-TD) at DFT/B3LYP/ 6-31G** level of theory. We have focused and study on the frontier MOs (HOMO and LUMO), electron injection (ΔGinject), light harvesting efficiency (LHE), open-circuit voltage (Voc), relative electron injection (ΔGrinject), and short-circuit c.d. (Jsc). The effect of-COOH as (acceptor) and -OCH3 (donor) groups on SQ1 and SQ2 were investigated. The factors affecting, ΔGinject, LHE, Voc and Jsc revealed that SQ1 would be more favorable to enhance the performance of DSSCs. The theor. calculations and absorbance results show that the electron d. of LUMO of SQ1 is delocalized in the whole chromophore, leading to strong electronic coupling between SQ1 and TiO2 surface. So, the SQ1 sensitized solar cells exhibit better photovoltaic performance.Methyl 3-bromopropanoate(cas: 3395-91-3SDS of cas: 3395-91-3) was used in this study.

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact.SDS of cas: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Computed Properties of C6H5BrO2On May 1, 2021 ,《A Practical and Efficient Synthesis of Uniform Conjugated Rod-Like Oligomers》 appeared in Macromolecular Rapid Communications. The author of the article were Hahn, Daniel; Schneider, Rebekka V.; Foitzik, Elena; Meier, Michael A. R.. The article conveys some information:

Herein, a more practical and efficient synthesis protocol for the preparation of uniform rod-like oligo(1,4-phenylene ethynylene)s (OPE)s is presented. Applying an iterative reaction cycle consisting of a decarboxylative coupling reaction and a saponification of an alkynyl carboxylic ester, a uniform pentamer is obtained in ten steps with 14% overall yield. The copper-free conditions prevent homocoupling until the trimer stage, resulting in a significantly easier work-up of the products. Homocoupling is observed from the tetramer stage on, but a simple variation of the work-up procedure also yields the uniform tetramer and pentamer. A thorough comparison with the commonly used and described Sonogashira approach reveals that with the new presented strategy, OPEs can be built in similar overall yield, but easier purification and in a quarter of the time. All oligomers are fully characterized by proton and carbon NMR spectroscopy (NMR), mass spectrometry (MS), size-exclusion chromatog. (SEC), and IR spectroscopy (IR). After reading the article, we found that the author used 2-Bromobenzene-1,4-diol(cas: 583-69-7Computed Properties of C6H5BrO2)

2-Bromobenzene-1,4-diol(cas: 583-69-7) 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. Computed Properties of C6H5BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yan; Liu, Deguang; Wan, Lei; Zhang, Jun-Yang; Lu, Xi; Fu, Yao published an article in 2022. The article was titled 《Ligand-Controlled Cobalt-Catalyzed Regiodivergent Alkyne Hydroalkylation》, and you may find the article in Journal of the American Chemical Society.Electric Literature of C4H7Br The information in the text is summarized as follows:

Herein, a ligand-controlled cobalt-catalyzed regiodivergent alkyne hydroalkylation was reported. The sensible selection of bisoxazoline and pyridine-oxazoline ligands led to reliable and predictable protocols that provided (E)-1,2-disubstituted and 1,1-disubstituted alkenes with high E/Z stereoselectivity and regioisomeric ratio starting from identical terminal alkyne and alkyl halide substrates and produced trisubstituted alkenes in the case of internal alkynes. This method exhibited a broad scope for terminal and internal alkynes with a wide range of activated and unactivated alkyl halides and shows excellent functional group compatibility. In the experiment, the researchers used many compounds, for example, (Bromomethyl)cyclopropane(cas: 7051-34-5Electric Literature of C4H7Br)

(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.Electric Literature of C4H7Br

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Functionalized helical β-peptoids》 were Wellhofer, Isabelle; Frydenvang, Karla; Kotesova, Simona; Christiansen, Andreas M.; Laursen, Jonas S.; Olsen, Christian A.. And the article was published in Journal of Organic Chemistry in 2019. Computed Properties of C4H7BrO2 The author mentioned the following in the article:

Peptidomimetic foldamers adopting well-defined three-dimensional structures while being stable toward proteolysis are of interest in biomedical research, chem. biol., and biomimetic materials science. Despite their backbone flexibility, β-peptoids containing N-(S)-1-(1-naphthyl)ethyl (Ns1npe) side chains can fold into unique triangular prism-shaped helixes. We report herein the successful introduction of amino groups onto robustly folded β-peptoid helixes by construction and incorporation of novel chiral building blocks. This is the first example of an X-ray crystal structure of a linear β-peptoid containing more than one type of side chain. We thus present a unique foldamer design comprising a robustly folded core with functionalized side chains protruding perpendicular to the helical axis to provide a highly predictable display of functional groups. This work paves the way for development of β-peptoid foldamers with a desired function, such as catalytic properties or as scaffolds enabling polyvalent display. The experimental process involved the reaction of Methyl 3-bromopropanoate(cas: 3395-91-3Computed Properties of C4H7BrO2)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. Organobromine compounds have fallen under increased scrutiny for their environmental impact.Computed Properties of C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2019,European Journal of Medicinal Chemistry included an article by Zhu, Yan; Sun, Nannan; Yu, Mingcheng; Guo, Huimin; Xie, Qiong; Wang, Yonghui. Recommanded Product: 3395-91-3. The article was titled 《Discovery of aryl-substituted indole and indoline derivatives as RORγt agonists》. The information in the text is summarized as follows:

A series of aryl-substituted indole and indoline derivatives were discovered as novel RORγt agonists by a scaffold-based hybridization of the reported RORγt agonists 1 and 2. SAR studies on the core structures, the RHS hydrophilic side chains and the LHS hydrophobic aryl groups of a hybrid compound 3 led to the identification of potent RORγt agonists with improved drug-like properties. Compound 14 represented a high potency lead with an EC50 of 20.8 ± 1.5 nM, the (S)-enantiomer (EC50 = 16.1 ± 4.5 nM) of which was 17 times more potent than the (R) counterpart (EC50 = 286 ± 30.4 nM) in RORγ dual FRET assay. The cell-based GAL4 reporter gene assay also suggested 14 as the most active compound which exhibited an EC50 of 247 ± 33.1 nM and a maximum activation percentage of 133%. Moreover, 14 showed high metabolic stability (t1/2 = 113 min) in mouse liver microsome and had improved aqueous solubility at pH 7.4 compared to the parent compounds Furthermore, 14 was found to be orally bioavailable and demonstrated excellent in vivo pharmacokinetics in mice. Present studies indicate that 14 deserves further investigation in tumor animal models as a potential candidate of RORγt agonist for cancer immunotherapy. In the experimental materials used by the author, we found Methyl 3-bromopropanoate(cas: 3395-91-3Recommanded Product: 3395-91-3)

Methyl 3-bromopropanoate(cas: 3395-91-3) belongs to bromides. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon–bromine bond is electrophilic, i.e. alkyl bromides are alkylating agents.Recommanded Product: 3395-91-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Understanding the Reshaping of Fluorinated Polyester Vitrimers by Kinetic and DFT Studies of the Transesterification Reaction》 was written by Lemouzy, Sebastien; Cuminet, Florian; Berne, Dimitri; Caillol, Sylvain; Ladmiral, Vincent; Poli, Rinaldo; Leclerc, Eric. HPLC of Formula: 401-55-8 And the article was included in Chemistry – A European Journal on August 26 ,2022. The article conveys some information:

Vitrimers are a third class of polymers gathering the mech. properties and solvent resistance of 3D thermosets and the reprocessability of thermoplastics. This unique behavior is due to the triggering of certain covalent exchange reactions that allow the network to rearrange upon application of a stimulus. The constitutive feature of vitrimers is the adoption of a glass-like viscosity during the rearrangement of the network, often due to an associative mechanism for the exchange reaction. Transesterification networks are one of the most studied type of vitrimers that usually require the incorporation of a catalyst, implying the associated drawbacks. Following up on a recent report on catalyst-free transesterification vitrimers in which the ester functions are particularly reactive thanks to the presence of fluorine atoms in α- or β-position, parallel DFT calculations and an exptl. kinetic study on model mols. are presented in order to quant. assess the effect of neighboring fluorinated groups on the transesterification reaction rate. The experimental part of the paper was very detailed, including the reaction process of Ethylbromofluoroacetate(cas: 401-55-8HPLC of Formula: 401-55-8)

Ethylbromofluoroacetate(cas: 401-55-8) is a member of organofluorine compounds. Organofluorine compounds, which have carbon-fluorine bonds, show unique features such as high thermal and chemical stability, high surface activity, no light-absorbing ability, high pharmacological effect, and so on. Owing to their specific characters, they are indispensable chemicals for industry and our daily lives.HPLC of Formula: 401-55-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary