Tag: 200-300

Donzel, Maxime; Elhabiri, Mourad; Davioud-Charvet, Elisabeth published their research in Journal of Organic Chemistry on August 6 ,2021. The article was titled 《Bioinspired Photoredox Benzylation of Quinones》.Computed Properties of C7H5Br2F The article contains the following contents:

3-Benzylmenadiones were obtained in good yield by using a blue-light-induced photoredox process in the presence of Fe(III), oxygen, and γ-terpinene acting as a hydrogen-atom transfer agent. This methodol. is compatible with a wide variety of diversely substituted 1,4-naphthoquinones as well as various cheap, readily available benzyl bromides with excellent functional group tolerance. The benzylation mechanism was investigated and supports a three-step radical cascade with the key involvement of the photogenerated superoxide anion radical. The experimental process involved the reaction of 4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5Computed Properties of C7H5Br2F)

4-Bromo-1-(bromomethyl)-2-fluorobenzene(cas: 76283-09-5) belongs to organobromine compounds.Most of the natural organobromine compounds are produced by marine organisms , and several brominated metabolites with antibacterial , antitumor , antiviral , and antifungal activity have been isolated from seaweed, sponges, corals, molluscs, and others. Computed Properties of C7H5Br2F In contrast, terrestrial plants account only for a few bromine-containing compounds.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Selective Capture of Thallium and Cesium by a Cryptophane Soluble at Neutral pH》 was written by Brotin, Thierry; Berthault, Patrick; Pitrat, Delphine; Mulatier, Jean-Christophe. Reference of Benzyl 2-bromoacetateThis research focused onwater soluble cryptophane preparation Thallium Cesium capture complexation. The article conveys some information:

We report in this article the synthesis of an asym. cryptophane derivative (possessing only C3-symmetry) bearing three phenol groups and three other carboxylic acid functions, each of these groups on the aromatic rings. Thanks to isothermal titration calorimetry experiments, we show that this compound binds large monovalent cations, such as Cs+ and Tl+, with a binding constant significantly lower than its congeners bearing a larger number of phenol groups grafted on the benzene rings. However, higher selectivity for Cs+ and Tl+ was observed with this compound since it does not show any affinity for other alkali cations. More importantly, due to the greater solubility of this derivative in pure water, we show for the first time that effective thallium(I) complexation takes place at neutral pH. This result demonstrates that cryptophane derivatives decorated with a higher number of phenol groups are promising host mols. for removing traces of thallium(I) from aqueous phases at neutral pH or above. The results came from multiple reactions, including the reaction of Benzyl 2-bromoacetate(cas: 5437-45-6Reference of Benzyl 2-bromoacetate)

Benzyl 2-bromoacetate(cas: 5437-45-6) has been used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.Reference of Benzyl 2-bromoacetate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hwang, Nicky; Sun, Liren; Noe, Daisy; Lam, Patrick Y. S.; Zhou, Tianlun; Block, Timothy M.; Du, Yanming published an article in 2021. The article was titled 《Hepatoselective Dihydroquinolizinone Bis-acids for HBsAg mRNA Degradation》, and you may find the article in ACS Medicinal Chemistry Letters.Reference of Ethyl 5-bromovalerate The information in the text is summarized as follows:

Chronic hepatitis B (CHB) is characterized by high levels of hepatitis B virus (HBV) surface antigen (HBsAg) in blood circulation. A major goal of CHB interventions is reducing or eliminating this antigenemia; however, there are currently no approved methods that can do this. A novel family of compounds with a dihydroquinolizinone (DHQ) scaffold has been shown to reduce circulating levels of HBsAg in animals, representing a first for a small mol. Reductions of HBsAg were a result of the compound’s effect on HBsAg mRNA levels. However, com. development by Roche of a DHQ lead compound, RG-7834, was stopped due to undisclosed toxicity issues. Herein we report our effort to convert the systemic RG7834 compound to a hepatoselective DHQ analog to limit its distribution to the bloodstream and thus to other body tissues. The experimental process involved the reaction of Ethyl 5-bromovalerate(cas: 14660-52-7Reference of Ethyl 5-bromovalerate)

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Wentao; Huang, Wei; Lin, Qian; Tsai, Mei-Hsuan; Zhang, Rui; Fan, Lijun; Scott, Jack D.; Liu, Guansai; Wan, Jinqiao published their research in Bioorganic & Medicinal Chemistry in 2021. The article was titled 《Development of DNA-compatible hydroxycarbonylation reactions using chloroform as a source of carbon monoxide》.Related Products of 76006-33-2 The article contains the following contents:

A robust palladium-catalyzed hydroxycarbonylation of aryl halides on DNA has been developed. Instead of Mo(CO)6 as a source of carbon monoxide as previously described in the literature, chloroform was used as a surrogate in this report for the purpose of avoiding to use a large excess of molybdenum reagent which is not totally soluble in aqueous reaction mixtures In the experiment, the researchers used 3-Bromo-2-methylbenzoic acid(cas: 76006-33-2Related Products of 76006-33-2)

3-Bromo-2-methylbenzoic acid(cas: 76006-33-2) belongs to organobromine compounds. A variety of minor organobromine compounds are found in nature, but none are biosynthesized or required by mammals. The most pervasive is the naturally produced bromomethane.Related Products of 76006-33-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ramachandran, P. Veeraraghavan; Hamann, Henry J. published their research in Organic Letters in 2021. The article was titled 《Ammonia-borane as a Catalyst for the Direct Amidation of Carboxylic Acids》.Name: 4-Bromobenzoic acid The article contains the following contents:

Ammonia-borane serves as an efficient substoichiometric (10%) precatalyst for the direct amidation of both carboxylic acids RC(O)OH (R = Me, Ph, cyclohexyl, pyridin-2-yl, etc.) with amines R1NHR2 [R1 = hexyl, cyclohexyl, Bn, etc.; R2 = H, Me, pentyl, Bn; R1R2 = -(CH2)5-] for the preparation of carboxamides RC(O)N(R1)R2. In situ generation of amine-boranes R1NH(R2)BH3 precedes the amidation and, unlike the amidation with stoichiometric amine-boranes, this process is facile with 1 equiv of the acid. This methodol. has high functional group tolerance and chromatog.-free purification but is not amenable for esterification. The latter feature has been exploited to prepare hydroxyl- and thiol-containing amides RC(O)N(R1)R2 (R = 2-phenylethyl, R1 = 2-hydroxyethyl, R2 = H; R = Ph, R1 = 2-sulfanylethyl, R2 = H). In the part of experimental materials, we found many familiar compounds, such as 4-Bromobenzoic acid(cas: 586-76-5Name: 4-Bromobenzoic acid)

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.Name: 4-Bromobenzoic acid 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

《Chemoselective semihydrogenation of alkynes catalyzed by manganese(I)-PNP pincer complexes》 was written by Garbe, Marcel; Budweg, Svenja; Papa, Veronica; Wei, Zhihong; Hornke, Helen; Bachmann, Stephan; Scalone, Michelangelo; Spannenberg, Anke; Jiao, Haijun; Junge, Kathrin; Beller, Matthias. Category: bromides-buliding-blocks And the article was included in Catalysis Science & Technology in 2020. The article conveys some information:

A general manganese catalyzed chemoselective semihydrogenation of alkynes R1CCR2 (R1 = Ph, 4-bromophenyl, 4-methoxyphenyl, 4-[methoxy(oxo)methane]phenyl, etc.; R2 = Ph, 4-chlorophenyl, 2-amino-5-chlorophenyl, pyridin-3-yl, etc.) to olefins R1HC=CHR2 in the presence of mol. hydrogen is described. The best results are obtained by applying the aliphatic Mn PNP pincer complex Mn-3c which allows the transformation of various substituted internal alkynes to the resp. Z-olefins under mild conditions and in high yields. Mechanistic investigations based on experiments and computations indicate the formation of the Z-isomer via an outer-sphere mechanism. In addition to this study using Bromopentacarbonylmanganese(I), there are many other studies that have used Bromopentacarbonylmanganese(I)(cas: 14516-54-2Category: bromides-buliding-blocks) was used in this study.

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

《Discovery and Optimization of α-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia》 was written by Liang, Jinhao; Huang, Yi-You; Zhou, Qian; Gao, Yuqi; Li, Zhe; Wu, Deyan; Yu, Si; Guo, Lei; Chen, Zhen; Huang, Ling; Liang, Steven H.; He, Xixin; Wu, Ruibo; Luo, Hai-Bin. Category: bromides-buliding-blocks And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

To validate PDE4 inhibitors as novel therapeutic agents against vascular dementia (VaD), 25 derivatives were discovered from the natural inhibitor α-mangostin (IC50 = 1.31μM). Hit-to-lead optimization identified a novel and selective PDE4 inhibitor 4e (IC50 = 17 nM), which adopted a different binding pattern from PDE4 inhibitors roflumilast and rolipram. Oral administration of 4e at a dose of 10 mg/kg exhibited remarkable therapeutic effects in a VaD model and did not cause emesis to beagle dogs, indicating its potential as a novel anti-VaD agent. In the experiment, the researchers used many compounds, for example, Ethyl 5-bromovalerate(cas: 14660-52-7Category: bromides-buliding-blocks)

Ethyl 5-bromovalerate(cas: 14660-52-7) 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Fe Single Atoms and Fe2O3 Clusters Liberated from N-Doped Polyhedral Carbon for Chemoselective Hydrogenation under Mild Conditions》 was written by Yun, Ruirui; Zhan, Feiyang; Li, Na; Zhang, Beibei; Ma, Wanjiao; Hong, Lirui; Sheng, Tian; Du, Liting; Zheng, Baishu; Liu, Shoujie. HPLC of Formula: 626-40-4 And the article was included in ACS Applied Materials & Interfaces in 2020. The article conveys some information:

Fe-based catalyst FeSAs/Fe2O3ACs/N-doped polyhedral carbon (NPC) was designed and synthesized. As we expected, compared with FeSAs and FeNPs, FeSAs/Fe2O3ACs/NPC showed excellent catalytic performance (turnover frequency up to 1923 h-1, calculated with nitrobenzene), chemoselectivity, and tolerance during the hydrogenation reaction of nitro compounds under room temperature because of the synergistic effects between FeSAs and Fe2O3ACs. The theor. calculations show that FeSAs prefers to undergo hydrazine decomposition to generate hydrogen and the Fe2O3ACs surface is more active toward the nitrobenzene reduction to aniline. The experimental process involved the reaction of 3,5-Dibromoaniline(cas: 626-40-4HPLC of Formula: 626-40-4)

3,5-Dibromoaniline(cas: 626-40-4) belongs to anime. Left-handed and right-handed forms (mirror-image configurations, known as optical isomers or enantiomers) are possible when all the substituents on the central nitrogen atom are different (i.e., the nitrogen is chiral). With amines, there is extremely rapid inversion in which the two configurations are interconverted.HPLC of Formula: 626-40-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《The design of a novel near-infrared fluorescent HDAC inhibitor and image of tumor cells》 was written by Huang, Ying; Ru, Hong-bo; Bao, Bin; Yu, Jia-hui; Li, Jia; Zang, Yi; Lu, Wei. SDS of cas: 17696-11-6 And the article was included in Bioorganic & Medicinal Chemistry in 2020. The article conveys some information:

Histone deacetylases (HDACs) have been found to be biomarkers of cancers and the corresponding inhibitors have attracted much attention these years. Herein we reported a near-IR fluorescent HDAC inhibitor based on vorinostat (SAHA) and a NIR fluorophore. This newly designed inhibitor showed similar inhibitory activity to SAHA against three HDAC isoforms (HDAC1, 3, 6). The western blot assay showed significant difference in compared with the neg. group. When used as probe for further kinematic imaging, Probe 1 showed enhanced retention in tumor cells and the potential of HDAC inhibitors in drug delivery was firstly brought out. The cytotoxicity assay showed Probe 1 had some anti-proliferation activities with corresponding IC50 values of 9.20 ± 0.96μM on Hela cells and 5.91 ± 0.57μM on MDA-MB-231 cells. These results indicated that Probe 1 could be used as a potential NIR fluorescent in the study of HDAC inhibitors and lead compound for the development of visible drugs. In addition to this study using 8-Bromooctanoic acid, there are many other studies that have used 8-Bromooctanoic acid(cas: 17696-11-6SDS of cas: 17696-11-6) was used in this study.

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.SDS of cas: 17696-11-6

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Role of Substituents at 3-position of Thienylethynyl Spacer on Electronic Properties in Diruthenium(II) Organometallic Wire-like Complexes》 was written by Roy, Sourav Saha; Chowdhury, Sabyasachi Roy; Mishra, Sabyashachi; Patra, Sanjib K.. Synthetic Route of C4H2Br2S And the article was included in Chemistry – An Asian Journal in 2020. The article conveys some information:

Organometallic complexes [Cl(dppe)2Ru-C C-(3-R-C4H2S)-C C-Ru(dppe)2Cl] (3-R-C4H2S = 3-substituted thienyl moiety; R = -H, -C2H5, -Pr, -Bu, -C6H13, -OMe, -CN in 5a-5g, resp.) were synthesized by systematic variation of 3-substituents at the thienylethynyl bridging unit. The diruthenium(II) wire-like complexes (5a-5g) were achieved by the reaction of thienylethynyl bridging units, Hc C-(3-R-C4H2S)-C CH (4 a-4 g) with cis-[Ru(dppe)2Cl2]. The wire-like diruthenium(II) complexes undergo two consecutive electrochem. oxidation processes in the potential range of 0.0-0.8 V. The wave separation between the two redox waves is greatly influenced by the substituents at the 3-position of the thienylethynyl. Thus, the substitution on 3-position of the thienylethynyl bridging unit plays a pivotal role for tuning the electronic properties. To understand the electronic behavior, d. functional theory (DFT) calculations of the selected diruthenium wire-like complexes (5a-5e) with different alkyl appendages were performed. The theor. data demonstrate that incorporation of alkyl groups to the thienylethynyl entity leaves unsym. spin densities, thus affecting the electronic properties. The voltammetric features of the other two Ru(II) alkynyl complexes 5f and 5g (with -OMe and -CN group, resp.) show an apparent dependence on the electronic properties. The electronic properties in the redox conjugate, (5a+) with Kc of 3.9 × 106 are further examined by UV-visible-NIR and FTIR studies, showing optical responses in NIR region along with changes in -Ru-C C- vibrational stretching frequency. The origin of the observed electronic transition was assigned based on time-dependent DFT (TDDFT) calculations In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromothiophene(cas: 3141-27-3Synthetic Route of C4H2Br2S)

2,5-Dibromothiophene(cas: 3141-27-3) , is mainly used as pharmaceutical intermediate and synthesis intermediate. 2,5-Dibromothiophene may be used as starting reagent for the synthesis of α,α′-didecylquater-, -quinque- and -sexi-thiophenes.Synthetic Route of C4H2Br2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary