Month: October 2022

In 2018,Wang, Junhua; Li, Guo-Xing; He, Gang; Chen, Gong published 《Photoredox-mediated Minisci alkylation of N-heteroarenes using carboxylic acids and hypervalent iodine》.Asian Journal of Organic Chemistry published the findings.Related Products of 17696-11-6 The information in the text is summarized as follows:

A new protocol of photoredox-mediated Minisci alkylation of N-heteroarenes with aliphatic carboxylic acids was developed to obtain alkylated heterocycles e.g. I. Using Ru(bpy)3Cl2 as photocatalyst and acetoxybenziodoxole as oxidant, a variety of primary, secondary and tertiary alkyl groups could be efficiently incorporated into various electron-deficient N-heteroarenes. This protocol demonstrated excellent substrate scope and good functional group tolerance and could applied to late-stage functionalization of complex mols. The experimental process involved the reaction of 8-Bromooctanoic acid(cas: 17696-11-6Related Products of 17696-11-6)

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.Related Products of 17696-11-6

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

In 2019,European Journal of Medicinal Chemistry included an article by Gao, Feng; Wang, Tengfei; Gao, Meixiang; Zhang, Xia; Liu, Zhuqing; Zhao, Shi Jia; Lv, Zao Sheng; Xiao, Jiaqi. Related Products of 629-03-8. The article was titled 《Benzofuran-isatin-imine hybrids tethered via different length alkyl linkers: Design, synthesis and in vitro evaluation of anti-tubercular and anti-bacterial activities as well as cytotoxicity》. The information in the text is summarized as follows:

The design and synthesis of twenty-two novel benzofuran-isatin-imine hybrids I [R1 = H, F, OCH3; X = (CH2)n; Y = NOCH3, NOC2H5, NNHC(S)NH2, NOH; R3 = H, OCH3, F; n = 1, 2, 3, 4] tethered through propylene, butylene, pentylene and hexylene, and for the evaluation of their in vitro anti-tubercular and anti-bacterial activities as well as cytotoxicity were reported. All benzofuran-isatin-imine hybrids exhibited considerable in vitro anti-TB (MIC: <0.016-0.218 μg/mL and 0.062-14.15 μg/mL against drug-sensitive and MDR MTB, resp.) and anti-bacterial (MIC: 0.25-64 μg/mL and 0.06-16 μg/mL against Gram-pos. and Gram-neg. strains, resp.) activities. All of them also showed acceptable cytotoxicity towards VERO (CC50: 8-128 μg/mL). The most active hybrid I (R1 = H; X = CH2CH2; Y = NOCH3; R3 = OCH3) (MIC: <0.016, 0.062 and 0.16 μg/mL, resp.) was >4.8 and >48 folds more potent than the first line anti-TB agents RIF and INH against both drug-sensitive MTB H37Rv and MDR-TB isolates, resp. Moreover, hybrid I (R1 = H; X = CH2CH2; Y = NOCH3; R3 = OCH3) also demonstrated promising anti-bacterial activities with MIC values of ≤1 μg/mL against the majority of the tested Gram-neg. and Gram-pos. pathogens, which was comparable to vancomycin (MIC: 0.5-4 μg/mL) and CPFX (MIC: 0.125-8 μg/mL) against Gram-pos. bacteria, but slightly less potent than CPFX (MIC: ≤0.03-0.5 μg/mL) against Gram-neg. bacteria. The results indicated that benzofuran-isatin-imine hybrids could act as candidates for the development of anti-TB and anti-bacterial agents. In the experiment, the researchers used 1,6-Dibromohexane(cas: 629-03-8Related Products of 629-03-8)

1,6-Dibromohexane(cas: 629-03-8) is generally used to introduce C6 spacer in the molecular architecture. Some of the examples are: synthesis of solvent processable and conductive polyfluorene ionomers for alkaline fuel cell applications; synthesis of cross-linkable regioregular poly(3-(5-hexenyl)thiophene) (P3HNT) for stabilizing the film morphology in polymer photovoltaic cells.Related Products of 629-03-8

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

In 2019,ACS Combinatorial Science included an article by de Pedro Beato, Eduardo; Priego, Julian; Gironda-Martinez, Adrian; Gonzalez, Fernando; Benavides, Jesus; Blas, Jesus; Martin-Ortega, Maria Dolores; Toledo, Miguel Angel; Ezquerra, Jesus; Torrado, Alicia. Formula: C7H5BrO2. The article was titled 《Mild and Efficient Palladium-Mediated C-N Cross-Coupling Reaction between DNA-Conjugated Aryl Bromides and Aromatic Amines》. The information in the text is summarized as follows:

DNA-encoded library technol. (ELT) has emerged in the pharmaceutical industry as a powerful tool for hit and lead generation. Over the last 10 years, a number of DNA-compatible chem. reactions have been published and used to synthesize libraries. Among the most commonly used reactions in medicinal chem. is the C-N bond formation, and its application to DNA-encoded library technol. affords an alternative approach to identify high-affinity binders for biol. relevant protein targets. Herein we report a newly developed Pd-promoted C-N cross coupling reaction between DNA-conjugated aryl bromides and a wide scope of arylamines in good to excellent yields. The mild reaction conditions should facilitate the synthesis of novel DNA-encoded combinatorial libraries. After reading the article, we found that the author used 4-Bromobenzoic acid(cas: 586-76-5Formula: C7H5BrO2)

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.Formula: C7H5BrO2 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

The author of 《Selective synthesis of N-protected exo-spiro[oxirane-3,2′-tropanes]》 were Mandzhulo, Aleksandr; Vashchenko, Iryna; Gerasov, Andrii; Vovk, Mykhaylo; Rusanov, Eduard; Fetyukhin, Volodymyr; Lukin, Oleg; Shivanyuk, Alexander. And the article was published in Organic Chemistry Frontiers in 2019. HPLC of Formula: 1779-49-3 The author mentioned the following in the article:

N-Cbz- and N-Boc-protected exo-spiro[oxirane-3,2′-tropanes] were obtained in 62-75% yield via either epoxidation or hydroxybromination/dehydrobromination of the corresponding alkenes. Deprotection of the Cbz-exo-epoxide afforded the corresponding tropane containing an exo-oxirane fragment and a secondary amino group. In the experimental materials used by the author, we found Methyltriphenylphosphonium bromide(cas: 1779-49-3HPLC of Formula: 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is an organophosphorus compound, with potential use as a precursor and a solvent in organic synthesis. And it is used widely for methylenation via the Wittig reaction.HPLC of Formula: 1779-49-3

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

The author of 《Side-Chain Polymers as Dopant-Free Hole-Transporting Materials for Perovskite Solar Cells-The Impact of Substituents’ Positions in Carbazole on Device Performance》 were Wu, Jianchang; Liu, Chang; Li, Bo; Gu, Fenglong; Zhang, Luozheng; Hu, Manman; Deng, Xiang; Qiao, Yuan; Mao, Yongyun; Tan, Wenchang; Tian, Yanqing; Xu, Baomin. And the article was published in ACS Applied Materials & Interfaces in 2019. Synthetic Route of C12H7Br2N The author mentioned the following in the article:

Side-chain polymers have the potential to be excellent dopant-free hole-transporting materials (HTMs) for perovskite solar cells (PSCs) because of their unique characteristics, such as tunable energy levels, high charge mobility, good solubility, and excellent film-forming ability. However, there has been less research focusing on side-chain polymers for PSCs. Here, two side-chain polystyrenes with triphenylamine substituents on carbazole moieties were designed and characterized. The properties of the side-chain polymers were tuned finely, including the photophys. and electrochem. properties and charge mobilities, by changing the positions of triphenylamine substituents on carbazole. Owing to the higher mobility and charge extraction ability, the polymer P2 with the triphenylamine substituent on the 3,6-positions of the carbazole unit showed higher performance with power conversion efficiency (PCE) of 18.45%, which was much higher than the PCE (16.78%) of P1 with 2,7-positions substituted. These results clearly demonstrated that side-chain polymers can act as promising HTMs for PSC applications and the performance of side-chain polymers could be optimized by carefully tuning the structure of the monomer, which provides a new strategy to design new kinds of side-chain polymers and obtain high-performance dopant-free HTMs. The experimental part of the paper was very detailed, including the reaction process of 3,6-Dibromo-9H-carbazole(cas: 6825-20-3Synthetic Route of C12H7Br2N)

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a pharmaceutical intermediate, and also an important intermediate of synthesizing optoelectronic materials. It has been used as a reagent in the synthesis of P7C3-A20 which is a potent neuroprotective agent.Synthetic Route of C12H7Br2N

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Discovery and Structural Optimization of 4-(Aminomethyl)benzamides as Potent Entry Inhibitors of Ebola and Marburg Virus Infections》 was published in Journal of Medicinal Chemistry in 2020. These research results belong to Gaisina, Irina N.; Peet, Norton P.; Wong, Letitia; Schafer, Adam M.; Cheng, Han; Anantpadma, Manu; Davey, Robert A.; Thatcher, Gregory R. J.; Rong, Lijun. Category: bromides-buliding-blocks The article mentions the following:

The recent Ebola epidemics in West Africa underscore the great need for effective and practical therapies for future Ebola virus outbreaks. We have discovered a new series of remarkably potent small mol. inhibitors of Ebola virus entry. These 4-(aminomethyl)benzamide-based inhibitors are also effective against Marburg virus. Synthetic routes to these compounds allowed for the preparation of a wide variety of structures, including a conformationally restrained subset of indolines (compounds 41-50). Compounds 20, 23, 32, 33, and 35 are superior inhibitors of Ebola (Mayinga) and Marburg (Angola) infectious viruses. Representative compounds (20, 32, and 35) have shown good metabolic stability in plasma and liver microsomes (rat and human), and 32 did not inhibit CYP3A4 nor CYP2C9. These 4-(aminomethyl)benzamides are suitable for further optimization as inhibitors of filovirus entry, with the potential to be developed as therapeutic agents for the treatment and control of Ebola virus infections. The results came from multiple reactions, including the reaction of Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8Category: bromides-buliding-blocks)

Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Reaction of Vinyl Aziridines with Arynes: Synthesis of Benzazepines and Branched Allyl Fluorides》 was published in Chemistry – A European Journal in 2020. These research results belong to Kaldas, Sherif J.; Kran, Eva; Mueck-Lichtenfeld, Christian; Yudin, Andrei K.; Studer, Armido. Recommanded Product: 1779-49-3 The article mentions the following:

The cycloaddition between vinyl aziridines I [R1 = benzyl, cyclohexyl, (4-methoxyphenyl)methyl; R2 = H, Me; R3 = H, Me; R4 = H, Ph] and arynes R5OS(O)2Ar (R5 = 2-iodophenyl, 4-fluoro-3-iodophenyl, 2-iodo-6-methoxyphenyl, etc.; Ar = trifluoromethyl, 4-chlorophenyl, 4-fluorophenyl, 4-iodophenyl) was reported. Depending on the reaction conditions and the choice of the aryne precursor, the aziridinium intermediate can be trapped through two distinct mechanistic pathways. The first one proceeds through a formal [5+2] cycloaddition to furnish valuable multi-substituted benzazepines II (R6 = H, 6-OMe, 6,8-(CH3)2, 6-F, etc.). In the second pathway, the aziridinium is intercepted by a fluoride ion to afford allylic fluorides R7N(R8)CH(R9)CH(F)C(=CH2)R10 (R7 = Ph, 3-methoxyphenyl, 3,4-difluorophenyl, etc.; R8 = benzyl, cyclohexyl, (4-methoxyphenyl)methyl; R9 = H, Me; R10 = H, Me) in good yields. Both reactions proceed stereospecifically and furnish enantiopure benzazepines II and allylic fluorides. After reading the article, we found that the author used Methyltriphenylphosphonium bromide(cas: 1779-49-3Recommanded Product: 1779-49-3)

Methyltriphenylphosphonium bromide(cas: 1779-49-3) is used for methylenation through the Wittig reaction. It is utilized in the synthesis of an enyne and 9-isopropenyl -phenanthrene by using sodium amide as reagent. Recommanded Product: 1779-49-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary