Month: November 2022

《Global profiling and identification of bile acids by multi-dimensional data mining to reveal a way of eliminating abnormal bile acids》 was written by Lin, Miao; Chen, Xiong; Wang, Zhe; Wang, Dongmei; Zhang, Jin-Lan. Recommanded Product: 21085-72-3 And the article was included in Analytica Chimica Acta in 2020. The article conveys some information:

Bile acids (BAs), as crucial endogenous metabolites, are closely related to cholestasis, metabolic disorders, and cancer. To better understand their function and disease pathogenesis, global profiling of BAs is necessary. Here, multidimensional data mining was developed for the discovery and identification of potentially unknown BAs in cholestasis rats. Based on an inhouse theor. BA database and using a newly established liquid chromatog.-tandem high-resolution mass spectrometry (LC-HRMS/MS) method, four-dimensional (4D) data including the retention times (RT), abundances, HRMS, and HRMS/MS spectra were acquired and elucidated. And 491 BAs were totally profiled. Then, the relations between RT with different conjugation types, different positions and configurations of hydroxyl/ketone groups as well as fragmentation rules of hydroxyl, ortho-hydroxyl, ketone, and conjugated groups of BAs were summarized to assist BA identification for the first time. Finally, 292 BAs were assigned with mol. formulas, 201 of which were putatively identified by integrating the 4D data, applying structure-driven relative retention time rules, and a comparison with synthetic BAs. The estimated concentrations of 201 BAs, including 93 reported and 108 newly identified BAs, were quantified by using surrogate standards with similar structure. Among 201 BAs, 38 BAs were detected in both humans and rats for the first time. The authors′ strategy has expanded the scope of BAs and provides a way to identify a class of metabolites. Compared to normal rats, the significantly increased sulfated and glucuronide conjugated BAs in urine and feces from exptl. cholestatic rats may reveal a way to diagnose intrahepatic cholestasis. In the experiment, the researchers used many compounds, for example, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate(cas: 21085-72-3Recommanded Product: 21085-72-3)

(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.Recommanded Product: 21085-72-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Easy access to medium-sized lactones through metal carbene migratory insertion enabled 1,4-palladium shift》 was written by Yu, Yinghua; Chakraborty, Pushkin; Song, Jinshuai; Zhu, Lei; Li, Chunsen; Huang, Xueliang. Synthetic Route of C7H5BrO And the article was included in Nature Communications in 2020. The article conveys some information:

Herein, a valuable strategy for medium-sized lactones e.g., dibenzo[b,e]oxepin-6(11H)-one synthesis by accomplishing site-selective C-H bond functionalization via a palladium carbene migratory insertion enabled 1,4-palladium shift was described. The overall process achieves the formal dimerization of two readily available benzaldehyde derivatives RCHO (R = 6-bromo-1,3-dihydro-2-benzofuran-5-yl, 1-bromonaphthalen-2-yl, 2-iodophenyl, etc.), providing value-added products medium-sized lactones. The method is amenable to late-stage modification of approved drugs and other complex mols. Mechanistic studies including deuterium-labeling experiments and DFT calculation shed light on the reaction pathways. The experimental process involved the reaction of o-Bromobenzaldehyde(cas: 6630-33-7Synthetic Route of C7H5BrO)

o-Bromobenzaldehyde(cas: 6630-33-7) is used in L-threonine aldolase-catalyzed enantio/diastereoselective aldol reactions.Synthetic Route of C7H5BrOSynthetic 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

《Hydrogenation or Dehydrogenation of N-Containing Heterocycles Catalyzed by a Single Manganese Complex》 was written by Zubar, Viktoriia; Borghs, Jannik C.; Rueping, Magnus. Name: Bromopentacarbonylmanganese(I) And the article was included in Organic Letters in 2020. The article conveys some information:

A highly chemoselective base-metal catalyzed hydrogenation and acceptorless dehydrogenation of N-heterocycles was presented. A well-defined Mn-complex was operated at low catalyst loading (as low as 2 mol%) and under mild reaction conditions. The described catalytic system tolerated various functional groups and the corresponding reduced heterocycles was obtained in high yields. Exptl. studies indicated a metal ligand cooperative catalysis mechanism. The experimental process involved the reaction of Bromopentacarbonylmanganese(I)(cas: 14516-54-2Name: 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.Name: Bromopentacarbonylmanganese(I)

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Unusual Reactivity of a Thiazole-Based Mn Tricarbonyl Complex for CO2 Activation》 was written by Singh, Kundan K.; Siegler, Maxime A.; Thoi, V. Sara. SDS of cas: 14516-54-2 And the article was included in Organometallics in 2020. The article conveys some information:

2-(2-Pyridyl)benzothiazole (pbt) manganese(I) complex [(pbt)MnBr(CO)3] undergoes chem. and electrochem. reduction, giving Mn(0) dimer [(pbt)2Mn2(CO)6] and Mn(1-) complex. Manganese tricarbonyl complexes have attracted considerable attention as competent electrocatalyst for CO2 reduction owing to their unique chem. and the natural abundance of Mn. While the analogous Re complexes are well-known to activate CO2 under anhydrous conditions, most reported Mn tricarbonyl catalysts require exogenous protons. In an effort to understand the reason for the different CO2 reduction mechanisms, we investigate the reactivity of Mn(pbt)(CO)3Br, (1, where pbt = 2-(2-pyridyl)-benzothiazole) with CO2. Our combined electrochem. and spectroscopic data suggest that 1 can undergo a CO2 conversion to CO similar to Re complexes with and without the presence of a proton source, but only at potentials significantly more neg. than the second reduction Furthermore, the one- and two-electron reduced species are chem. generated and characterized by NMR, UV-vis, and IR spectroscopy. By exploring sequential chem. reduction of 1, we uncover unusual reactivity of the reduced dimeric Mn-Mn species as well as the isolation of a species capable of C-H activation. In the part of experimental materials, we found many familiar compounds, such as Bromopentacarbonylmanganese(I)(cas: 14516-54-2SDS of cas: 14516-54-2)

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.SDS of cas: 14516-54-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sole, Daniel; Amenta, Arianna; Campos, Cristina; Fernandez, Israel published their research in Dalton Transactions in 2021. The article was titled 《Iron-promoted dealkylative carbene aminocyclization of δ-arylamino-α-diazoesters》.Application of 14660-52-7 The article contains the following contents:

Herein, a novel methodol. to access N-aryl proline derivatives I (R = Ph, 2,4-dimethylphenyl, naphthalen-1-yl, etc.; R1 = Me, Et) using amino-tethered α-diazoesters RN(R2)(CH2)3C(=N2)C(O)OR1 [R2 = Me, Et, i-Pr, t-Bu, Bn] and cheap, readily available iron salts were reported. Mechanistically, the aminocyclization reaction involves the initial formation of an iron-carbene complex followed by a nucleophilic attack of the aniline nitrogen atom to give an ammonium ylide intermediate, which finally undergoes the iron-promoted dealkylation. The results came from multiple reactions, including the reaction of Ethyl 5-bromovalerate(cas: 14660-52-7Application of 14660-52-7)

Ethyl 5-bromovalerate(cas: 14660-52-7) 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.Application of 14660-52-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Majhi, Debashis; Dvinskikh, Sergey V. published their research in Scientific Reports in 2021. The article was titled 《Ion conformation and orientational order in a dicationic ionic liquid crystal studied by solid-state nuclear magnetic resonance spectroscopy》.Recommanded Product: 1,6-Dibromohexane The article contains the following contents:

Ionic liquids crystals belong to a special class of ionic liquids that exhibit thermotropic liquid-crystalline behavior. Recently, dicationic ionic liquid crystals have been reported with a cation containing two single-charged ions covalently linked by a spacer. In ionic liquid crystals, electrostatic and hydrogen bonding interactions in ionic sublayer and van der Waals interaction in hydrophobic domains are the main forces contributing to the mesophase stabilization and determining the mol. orientational order and conformation. How these properties in dicationic materials are compared to those in conventional monocationic analogs. We address this question using a combination of advanced NMR methods and DFT anal. Dicationic salt 3,3′-(1,6-hexanediyl)bis(1-dodecylimidazolium)dibromide was studied. Local bond order parameters of flexible alkyl side chains, linker chain, and alignment of rigid polar groups were analyzed. The dynamic spacer effectively “”decouples”” the motion of two ionic moieties. Hence, local order and alignment in dicationic mesophase were similar to those in analogous single-chain monocationic salts. Bond order parameters in the side chains in the dicationic smectic phase were found consistently lower compared to double-chain monocationic analogs, suggesting decreasing contribution of van der Waals forces. Overall dication reorientation in the smectic phase was characterized by low values of orientational order parameter S. With increased interaction energy in the polar domain the layered structure is stabilized despite less ordered dications. The results emphasized the trends in the orientational order in ionic liquid crystals and contributed to a better understanding of interparticle interactions driving smectic assembly in this and analogous ionic mesogens. In addition to this study using 1,6-Dibromohexane, there are many other studies that have used 1,6-Dibromohexane(cas: 629-03-8Recommanded Product: 1,6-Dibromohexane) 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.Recommanded Product: 1,6-Dibromohexane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wu, Sisi; Shi, Weijia; Zou, Gang published an article in 2021. The article was titled 《Mechanical metal activation for Ni-catalyzed, Mn-mediated cross-electrophile coupling between aryl and alkyl bromides》, and you may find the article in New Journal of Chemistry.SDS of cas: 2969-81-5 The information in the text is summarized as follows:

Liquid-assisted grinding was successfully applied to eliminate the requirements of chem. activators and anhydrous solvents in nickel-catalyzed, manganese-mediated cross-electrophile coupling between aryl and alkyl bromides. In addition to the traditional reaction parameters, mech. ones, e.g. the rotational speed of mill, the filling degree of jar and ball size, was found to affect the catalytic efficiency remarkably, implying the involvement of the regeneration of nickel(0) species in the rate-determining steps. A combined evaluation of the reaction and mech. parameters led to an optimal condition under which a variety of n-alky aromatics with various functional groups was readily obtained in good yields with a 1 mol% catalyst loading. The practical application of liquid-assisted grinding-enabled aryl/alkyl cross-electrophile coupling was demonstrated in the gram-scale synthesis of 6-methoxytetralone. The experimental process involved the reaction of Ethyl 4-bromobutyrate(cas: 2969-81-5SDS of cas: 2969-81-5)

Ethyl 4-bromobutyrate(cas: 2969-81-5) 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: 2969-81-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ni, Mengshan; Geng, Lijun; Kong, Fangfang; Du, Chengrun; Zhai, Ruiping; Lyu, Yingchen; Hu, Chaosu; Ying, Hongmei published an article in 2021. The article was titled 《Induction Chemotherapy Combined With Intensity-Modulated Radiotherapy for 129 Nasopharyngeal Carcinoma Patients With Synchronous Metastases: A Retrospective Study.》, and you may find the article in Frontiers in oncology.Recommanded Product: 626-40-4 The information in the text is summarized as follows:

OBJECTIVE: To analyze the therapeutic effect and prognostic factors of nasopharyngeal carcinoma (NPC) patients with distant metastases at initial diagnosis receiving induction chemotherapy with intensity-modulated radiotherapy (IMRT). METHODS: A total of 129 patients who underwent platinum-based induction chemotherapy followed by definitive IMRT with or without concurrent or adjuvant chemotherapy for newly diagnosed distant metastatic NPC in our center between March 2008 and November 2018 were retrospectively analyzed. 41 patients underwent local therapy for metastatic sites. Kaplan-Meier method was used to estimate survival rates, Log-rank test and Cox proportional hazards model were used to figure out independent prognostic factors of overall survival (OS). RESULTS: A total of 66 patients had been dead (median follow-up time, 51.5 months). The median overall survival (OS) time was 54.2 months (range, 7-136 months), and the 1-year, 2-year, 3-year, 5-year overall survival rates were 88.0%,71.0%,58.0%, and 47.0%. Multivariate analysis found that the factors correlated with poor overall survival were pre-treatment serum lactate dehydrogenase (SLDH) >180U/L, chemotherapy cycles<4, and M1 stage subdivision (M1b, single hepatic metastasis and/or multiple metastases excluding the liver; and M1c, multiple hepatic metastases). The 5-year OS rates for M1a, M1b and M1c were 62.6%,40.4% and 0%, respectively. CONCLUSION: Platinum-containing induction chemotherapy combined with IMRT seemed to be advantageous to prolong survival for some NPC patients with synchronous metastases at initial diagnosis. The independent factors to prognosticate OS were pre-treatment SLDH, number of chemotherapy cycles, and M1 subcategories. Prospective clinical trials are needed to confirm the result. The experimental process involved the reaction of 3,5-Dibromoaniline(cas: 626-40-4Recommanded Product: 626-40-4)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. To avoid the problem of multiple alkylation, methods have been devised for “blocking” substitution so that only one alkyl group is introduced. The Gabriel synthesis is one such method; it utilizes phthalimide, C6H4(CO)2NH, whose one acidic hydrogen atom has been removed upon the addition of a base such as KOH to form a salt.Recommanded Product: 626-40-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Leech, Matthew C.; Petti, Alessia; Tanbouza, Nour; Mastrodonato, Andrea; Goodall, Iain C. A.; Ollevier, Thierry; Dobbs, Adrian P.; Lam, Kevin published an article in 2021. The article was titled 《Anodic Oxidation of Aminotetrazoles: A Mild and Safe Route to Isocyanides》, and you may find the article in Organic Letters.Quality Control of Tris(4-bromophenyl)amine The information in the text is summarized as follows:

A new electrochem. method for the preparation of isocyanides RN+C- (R = octyl, cyclohexylmethyl, 4-tert-butylphenyl, thiophen-2-ylmethyl, etc.) from easily accessible aminotetrazole derivatives I has been developed, which tolerates an unprecedented range of functional groups. The use of chem., rather than electrochem., oxidation to afford isocyanides was also demonstrated, which provides access to these compounds for those without electrosynthesis equipment. The practicality of scale-up using flow electrochem. has been demonstrated, in addition to the possibility of using electrochem. generated isocyanides in further reactions.Tris(4-bromophenyl)amine(cas: 4316-58-9Quality Control of Tris(4-bromophenyl)amine) was used in this study.

In other references, Tris(4-bromophenyl)amine(cas: 4316-58-9) is often used in the synthesis of porous luminescent covalent–organic polymers (COPs)Quality Control of Tris(4-bromophenyl)amine

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Roy, Sayontani Sinha; Talukdar, Kallol; Jurss, Jonah W. published an article in 2021. The article was titled 《Electro- and Photochemical Reduction of CO2 by Molecular Manganese Catalysts: Exploring the Positional Effect of Second-Sphere Hydrogen-Bond Donors》, and you may find the article in ChemSusChem.Category: bromides-buliding-blocks The information in the text is summarized as follows:

A series of mol. Mn catalysts featuring aniline groups in the second-coordination sphere has been developed for electrochem. and photochem. CO2 reduction The arylamine moieties were installed at the 6 position of 2,2′-bipyridine (bpy) to generate a family of isomers in which the primary amine is located at the ortho- (1-Mn), meta- (2-Mn), or para-site (3-Mn) of the aniline ring. The proximity of the second-sphere functionality to the active site is a critical factor in determining catalytic performance. Catalyst 1-Mn, possessing the shortest distance between the amine and the active site, significantly outperformed the rest of the series and exhibited a 9-fold improvement in turnover frequency relative to parent catalyst Mn(bpy)(CO)3Br (901 vs. 102 s-1, resp.) at 150 mV lower overpotential. The electrocatalysts operated with high faradaic efficiencies (≥70 %) for CO evolution using trifluoroethanol as a proton source. Notably, under photocatalytic conditions, a concentration-dependent shift in product selectivity from CO (at high [catalyst]) to HCO2H (at low [catalyst]) was observed with turnover numbers up to 4760 for formic acid and high selectivities for reduced carbon products. In the experiment, the researchers used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Category: bromides-buliding-blocks)

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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary