Month: October 2022

The author of 《Asymmetric α-alkylation of cyclic β-keto esters and β-keto amides by phase-transfer catalysis》 were Wang, Yakun; Li, Yueyun; Lian, Mingming; Zhang, Jixia; Liu, Zhaomin; Tang, Xiaofei; Yin, Hang; Meng, Qingwei. And the article was published in Organic & Biomolecular Chemistry in 2019. COA of Formula: C4H7BrO2 The author mentioned the following in the article:

Without employing any transition metal, a highly enantioselective α-alkylation of cyclic β-keto esters and β-keto amides has been realized by phase-transfer catalysis. This improved procedure is applicable to different kinds of bromides with cinchona derivatives and gives the corresponding products e.g., I and e.g., II, in excellent enantiopurities (up to 98% ee) and good yields (up to 98%). Moreover, the reaction was scalable and the phase-transfer catalyst was recyclable. This provided an alternative and competitive method to the asym. α-alkylation of β-dicarbonyl compounds The experimental process involved the reaction of Methyl 3-bromopropanoate(cas: 3395-91-3COA of Formula: 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.COA of Formula: C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《A Mesoporous Aluminosilicate Nanoparticle-Supported Nickel-Boron Composite for the Catalytic Reduction of Nitroarenes》 were Hauser, Jesse L.; Amberchan, Gabriella; Tso, Monique; Manley, Ryan; Bustillo, Karen; Cooper, Jason; Golden, Josh H.; Singaram, Bakthan; Oliver, Scott R. J.. And the article was published in ACS Applied Nano Materials in 2019. Formula: Br3In The author mentioned the following in the article:

An amorphous nickel and boron composite (NBC) was synthesized from nickel chloride hexahydrate (NiCl2·6H2O) and sodium borohydride (NaBH4) in absolute ethanol, both in bulk and supported on mesoporous aluminosilicate nanoparticles (MASN). Comparatively, NBC-MASN demonstrated better catalytic activity for the selective reduction of the nitro group on a variety of polysubstituted nitroarenes, using hydrazine hydrate (N2H4·H2O) as the reducing agent at 25 °C. Reuse and regeneration of NBC-MASN for the reduction of p-nitrotoluene to p-toluidine were studied with NaBH4 acting as a regeneration agent. Good catalytic activity was sustained through nine reuse cycles when equimolar NaBH4 was present in situ with N2H4·H2O (99%-67% isolated aniline yield). The structure and composition of NBC and NBC-MASN were examined by electron microscopy, energy dispersive X-ray spectroscopy (EDS), powder X-ray diffraction (PXRD), XPS, thermogravimetric anal. (TGA), and inductively coupled plasma optical emission spectroscopy (ICP-OES). The results for NBC-MASN show that a thin (<10 nm) amorphous coating forms over the MASN surface, consisting of a mixture of metallic and oxidized nickel (9 wt % Ni), and various species of boron (at. ratio of Ni:B = 2). For unsupported NBC, metallic nickel nanocrystals (1-3 nm) were discovered imbedded within an amorphous matrix of a similar composition Upon calcination at 550 °C in a N2 atmosphere, partial conversion of unsupported NBC to crystalline Ni3B was observed, whereas only crystalline metallic Ni was observed for NBC-MASN. To explain these differences, further evidence is given to suggest the presence of residual boron hydrides encapsulated in the bulk unsupported NBC, suggesting Ni3B was an artifact of processing rather than an initial product. The experimental part of the paper was very detailed, including the reaction process of Indium(III) bromide(cas: 13465-09-3Formula: 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.Formula: Br3In

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Multi-spectroscopic measurements, molecular modeling and density functional theory calculations for interactions of 2,7-dibromocarbazole and 3,6-dibromocarbazole with serum albumin》 were Wang, Lijun; Wu, Xiaoqin; Yang, Yanan; Liu, Xina; Zhu, Meiqing; Fan, Shisuo; Wang, Zhen; Xue, Jiaying; Hua, Rimao; Wang, Yi; Li, Qing X.. And the article was published in Science of the Total Environment in 2019. Formula: C12H7Br2N The author mentioned the following in the article:

2,7-Dibromocarbazole (2,7-DBCB) and 3,6-dibromocarbazole (3,6-DBCB) are emerging environmental pollutants, being potentially high risks to human health. In this study, interactions of the two compounds with human serum albumin (HSA) and bovine serum albumin (BSA) were investigated by mol. modeling, d. functional theory calculations (DFT) and multispectral techniques. The static quenching interaction deduced in the fluorescence quenching experiment is confirmed by the time-resolved analyses. The interactions of the two compounds with HSA/BSA induce mol. microenvironment and conformation changes, as assessed by synchronous and 3D fluorescence spectra, together with a destruction of polypeptide carbonyl hydrogen bond network by CD and Fourier transform IR analyses. The thermodn. anal. indicated that the spontaneous interaction was hydrogen bonding and hydrophobic forces. The binding constant Ka at 298 K was 3.54 × 105 M-1 in HSA-2,7-DBCB, 6.63 × 105 M-1 in HSA-3,6-DBCB, 1.32 × 105 M-1 in BSA-2,7-DBCB and 2.17 × 105 M-1 in BSA-3,6-DBCB. These results indicates that 3,6-DBCB binds HSA/BSA more strongly than 2,7-DBCB, which was estimated with DFT calculations Site marker competition experiments coupled with mol. modeling studies confirmed that both compounds bind HSA/BSA at site I (subdomain IIA). The results suggest that interactions between 2,7-DBCB and 3,6-DBCB with HSA and BSA may affect the normal physiol. activities in human and animals. In the part of experimental materials, we found many familiar compounds, such as 3,6-Dibromo-9H-carbazole(cas: 6825-20-3Formula: 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.Formula: C12H7Br2N

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Stereochemistry-Controlled Supramolecular Architectures of New Tetrahydroxy-Functionalized Amphiphilic Carbocyanine Dyes》 was published in Chemistry – A European Journal in 2020. These research results belong to Schade, Boris; Singh, Abhishek Kumar; Wycisk, Virginia; Cuellar-Camacho, Jose Luis; von Berlepsch, Hans; Haag, Rainer; Boettcher, Christoph. Computed Properties of C6H11BrO2 The article mentions the following:

The syntheses of novel amphiphilic 5,5′,6,6′-tetrachlorobenzimidacarbocyanine (TBC) dye derivatives with aminopropanediol head groups, which only differ in stereochem. (chiral enantiomers, meso form and conformer), are reported. For the achiral meso form, a new synthetic route towards asym. cyanine dyes was established. All compounds form J aggregates in water, the optical properties of which were characterized by means of spectroscopic methods. The supramol. structure of the aggregates is investigated by means of cryo-transmission electron microscopy, cryo-electron tomog. and AFM, revealing extended sheet-like aggregates for chiral enantiomers and nanotubes for the mesomer, resp., whereas the conformer forms predominately needle-like crystals. The experiments demonstrate that the aggregation behavior of compounds can be controlled solely by head group stereochem., which in the case of enantiomers enables the formation of extended hydrogen-bond chains by the hydroxyl functionalities. In case of the achiral meso form, however, such chains turned out to be sterically excluded. In the experiment, the researchers used Ethyl 4-bromobutyrate(cas: 2969-81-5Computed Properties of C6H11BrO2)

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.Computed Properties of C6H11BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Stepwise Mechanism for the Bromination of Arenes by a Hypervalent Iodine Reagent》 was published in Journal of Organic Chemistry in 2020. These research results belong to Granados, Albert; Shafir, Alexandr; Arrieta, Ana; Cossio, Fernando P.; Vallribera, Adelina. Product Details of 523-27-3 The article mentions the following:

A mild, metal-free bromination method of arenes has been developed using the combination of bis(trifluoroacetoxy)iodobencene and trimethylsilyl bromide. In situ-formed dibromo(phenyl)-λ3-iodane (PhIBr2) is proposed as the reactive intermediate. This methodol. using PIFA/TMSBr has been applied with success to a great number of substrates (25 examples). The treatment of mono-substituted activated arenes led to para-brominated products (2u-z) in excellent 83-96% yields. D. functional theory calculations indicate a stepwise mechanism involving a double bromine addition followed by a type II dyotropic reaction with concomitant re-aromatization of the six-membered ring. The results came from multiple reactions, including the reaction of 9,10-Dibromoanthracene(cas: 523-27-3Product Details of 523-27-3)

9,10-Dibromoanthracene(cas: 523-27-3) can be sublimated and oxidized to generate anthraquinone. Soluble in hot benzene and hot toluene, slightly soluble in alcohol, ether and cold benzene, insoluble in water.Product Details of 523-27-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Triarylborane catalysed N-alkylation of amines with aryl esters》 was published in Catalysis Science & Technology in 2020. These research results belong to Nori, Valeria; Dasgupta, Ayan; Babaahmadi, Rasool; Carlone, Armando; Ariafard, Alireza; Melen, Rebecca L.. Application of 6825-20-3 The article mentions the following:

Herein, the N-alkylation reactions of a wide variety of amine substrates such as di-Ph amine, N-Me aniline, indoline, 9H-carbazole, etc. with aryl esters 4-FC6H4C(O)OCH(R)R1 (R = Ph, 4-fluorophenyl, naphthalen-2-yl, etc.; R1 = Me, cyclohexyl, 2-phenylethynyl, etc.) using catalytic amounts of B(C6F5)3 were described. This mild reaction protocol gives access to N-alkylated products RCH(R1)N(4-R2C6H4)R3 (R2 = H, Me, t-Bu; R3 = Me, Ph, 4-methylphenyl, 4-tert-butylphenyl)/e.g., I in good to excellent yields (up to 95%). The construction of a C-N bond at the propargylic position has also been demonstrated to yield synthetically useful propargyl amines. On the other hand, unsubstituted 1H-indole and 1H-pyrrole at the C3/C2 positions afforded exclusively C-C coupled products R4CH(4-FC6H4)2 (R4 = 1H-indol-3-yl, 1H-pyrrol-2-yl). Extensive DFT studies have been employed to understand the mechanism for this transformation. In the experiment, the researchers used 3,6-Dibromo-9H-carbazole(cas: 6825-20-3Application of 6825-20-3)

3,6-Dibromo-9H-carbazole(cas: 6825-20-3) is used as a reagent in the synthesis of P7C3-A20 which is a potent neuroprotective agent. And it has been used in the preparation of N-(2-hydroxyethyl)-3,6-dibromocarbazole.Application of 6825-20-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Visible- and UV-Light-Induced Decarboxylative Radical Reactions of Benzoic Acids Using Organic Photoredox Catalysts》 was published in Journal of Organic Chemistry in 2020. These research results belong to Kubosaki, Suzuka; Takeuchi, Haruka; Iwata, Yutaka; Tanaka, Yosuke; Osaka, Kazuyuki; Yamawaki, Mugen; Morita, Toshio; Yoshimi, Yasuharu. Application of 586-76-5 The article mentions the following:

Photoinduced decarboxylative radical reactions of benzoic acids with electron-deficient alkenes, diborane, and acetonitrile under organic photoredox catalysis conditions and mild heating afforded adducts, arylboronate esters, and the reduction product, resp. The reaction is thought to involve single-electron transfer promoted the generation of aryl radicals via decarboxylation. A diverse range of benzoic acids were found to be suitable substrates for this photoreaction. Only two-mol. organic photoredox system can work well for the direct photoinduced decarboxylation of benzoic acids. In the experiment, the researchers used many compounds, for example, 4-Bromobenzoic acid(cas: 586-76-5Application of 586-76-5)

4-Bromobenzoic acid(cas: 586-76-5) has been 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.Application of 586-76-5 It was used to study the metabolic fate of 2-,3-and 4-bromo benzoic acids in rat hepatocytes incubation using high temperature liquid chromatography.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《A Bithiophene-Promoted ppm Levels of Palladium-Catalyzed Regioselective Hydrosilylation of Terminal Allenes》 was published in Advanced Synthesis & Catalysis in 2020. These research results belong to Chen, Jun-Jia; Zeng, Jia-Hao; Yang, Ying; Liu, Zhi-Kai; Jiang, Ya-Nan; Li, Miao-Ran; Chen, Li; Zhan, Zhuang-Ping. Computed Properties of C4H2Br2S The article mentions the following:

A bithiophene-alkyne-based compound was synthesized and 1st used as a ligand for the selective hydrosilylation of allenes with primary and secondary phenylsilanes. It shows high selectivity towards the production of branched allylsilanes with a wide range of allenes. It is worth mentioning that the catalytic loading of the Pd can be reduced to 500 ppm. This work opens a new front of using bidentate thiophene ligand as a reaction promoter in transition-metal-catalyzed organic reaction. The experimental process involved the reaction of 2,5-Dibromothiophene(cas: 3141-27-3Computed Properties of 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.Computed Properties of C4H2Br2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Synthesis and Crystal Structure of Chalcone Derivatives and Their Effect on α-Glucosidase》 was published in Journal of Chemical Crystallography in 2020. These research results belong to Lin, Ping; Yin, Zhong-Ping; Wang, Meng; Liu, Jia; Yuan, En; Peng, Da-Yong; Nie, Xu-Liang; Shang-Guan, Xin-Chen. Application of 629-03-8 The article mentions the following:

Five trans-chalcone derivatives I [n = 2, 3, 4, 5, 6] were synthesized and characterized by 1H NMR, HRMS. The crystalline structures of compounds I [n = 5, 6] were further characterized by X-ray crystal diffraction. Among the five compounds, I [n = 2, 3] showed inhibitory activity on α-glucosidase, but I [n = 5, 6] increased the activity of α-glucosidase. In addition to this study using 1,6-Dibromohexane, there are many other studies that have used 1,6-Dibromohexane(cas: 629-03-8Application of 629-03-8) was used in this study.

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.Application of 629-03-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Shifted Selectivity in Protonation Enables the Mild Deuteration of Arenes Through Catalytic Amounts of Bronsted Acids in Deuterated Methanol》 was published in Journal of Organic Chemistry in 2020. These research results belong to Fischer, Oliver; Hubert, Anja; Heinrich, Markus R.. Quality Control of 1-Bromo-3,4,5-trimethoxybenzene The article mentions the following:

Taking advantage of the “”differentiating effect”” of the solvent methanol, deuterations of electron-rich aromatic systems can be carried out under mild acid catalysis and thus under far milder conditions than known so far. The exceptional functional group tolerance observed under the optimized conditions, which even includes highly acid-labile groups, results from a hitherto unexploited shifted selectivity in protonation, and enabled simple and straightforward access to complex deuterium-labeled compounds In the experiment, the researchers used many compounds, for example, 1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8Quality Control of 1-Bromo-3,4,5-trimethoxybenzene)

1-Bromo-3,4,5-trimethoxybenzene(cas: 2675-79-8) is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.Quality Control of 1-Bromo-3,4,5-trimethoxybenzene1-Bromo-3,4,5-trimethoxybenzene can be used to synthesize N,N′-diarylated indolo[3,2-b]carbazole derivatives, which can find applications in electrophotography.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary