Tag: 100-200

《Carbocation inside the cage: a periodical DFT study on the interaction of the C4H7+ system with alkali metal ion-exchanged zeolite Y》 was published in ARKIVOC (Gainesville, FL, United States) in 2020. These research results belong to Rosenbach, Nilton Jr.; Mota, Claudio J. A.. Recommanded Product: 7051-34-5 The article mentions the following:

Periodic DFT calculations at GGA-PPBE level were carried out with the goal of achieving better understanding of the influence of the polarity of the zeolite cavity on the stability of carbocations intermediates inside these materials. The results show that local electrostatic interactions play the major role of stabilizing such species on the zeolite surface. In the experiment, the researchers used many compounds, for example, (Bromomethyl)cyclopropane(cas: 7051-34-5Recommanded Product: 7051-34-5)

(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.Recommanded Product: 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Pharmacological characterisation of small molecule C5aR1 inhibitors in human cells reveals biased activities for signalling and function》 was published in Biochemical Pharmacology (Amsterdam, Netherlands) in 2020. These research results belong to Li, Xaria X.; Lee, John D.; Massey, Nicholas L.; Guan, Carolyn; Robertson, Avril A. B.; Clark, Richard J.; Woodruff, Trent M.. Reference of Ethyl 4-bromobutyrate The article mentions the following:

The complement fragment C5a is a core effector of complement activation. C5a, acting through its major receptor C5aR1, exerts powerful pro-inflammatory and immunomodulatory functions. Dysregulation of the C5a-C5aR1 axis has been implicated in numerous immune disorders, and the therapeutic inhibition of this axis is therefore imperative for the treatment of these diseases. A myriad of small-mol. C5aR1 inhibitors have been developed and independently characterised over the past two decades, however the pharmacol. properties of these compounds has been difficult to directly compare due to the wide discrepancies in the model, read-out, ligand dose and instrumentation implemented across individual studies. Here, we performed a systematic characterization of the most commonly reported and clin. advanced small-mol. C5aR1 inhibitors (peptidic: PMX53, PMX205 and JPE1375; non-peptide: W545011, NDT9513727, DF2593A and CCX168). Through signalling assays measuring C5aR1-mediated cAMP and ERK1/2 signalling, and β-arrestin 2 recruitment, this study highlighted the signalling-pathway dependence of the rank order of potencies of the C5aR1 inhibitors. Functional experiments performed in primary human macrophages demonstrated the high insurmountable antagonistic potencies for the peptidic inhibitors as compared to the non-peptide compounds Finally, wash-out studies provided novel insights into the duration of inhibition of the C5aR1 inhibitors, and confirmed the long-lasting antagonistic properties of PMX53 and CCX168. Overall, this study revealed the potent and prolonged antagonistic activities of selected peptidic C5aR1 inhibitors and the unique pharmacol. profile of CCX168, which thus represent ideal candidates to fulfil diverse C5aR1 research and clin. therapeutic needs. In addition to this study using Ethyl 4-bromobutyrate, there are many other studies that have used Ethyl 4-bromobutyrate(cas: 2969-81-5Reference of Ethyl 4-bromobutyrate) was used in this study.

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.Reference of Ethyl 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Development of BODIPY dyes with versatile functional groups at 3,5-positions from diacyl peroxides via Cu(II)-catalyzed radical alkylation》 were Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Recommanded Product: 4-Bromobutanoic acid The author mentioned the following in the article:

An efficient Cu(II)-catalyzed, C-H alkylation of BODIPY with a variety of alkyl diacyl peroxides has been developed for the first time, providing a late-stage and straightforward method for controllable synthesis of monoalkylated and dialkylated BODIPYs via a radical process that otherwise is difficult to obtain by literature methods. This chemo- and site-selective transformation will allow for the introduction of a variety of functionalities on the BODIPY core for highly versatile tethering to receptors and to other mols. of interest. After reading the article, we found that the author used 4-Bromobutanoic acid(cas: 2623-87-2Recommanded Product: 4-Bromobutanoic acid)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Recommanded Product: 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Two color photoflow chemistry for macromolecular design》 was written by Van De Walle, Matthias; De Bruycker, Kevin; Blinco, James P.; Barner-Kowollik, Christopher. Safety of Ethyl 4-bromobutyrate And the article was included in Angewandte Chemie, International Edition in 2020. The article conveys some information:

We report a photochem. flow setup that exploits λ-orthogonal reactions using two different colors of light (λ1=350 nm and λ2=410 nm) in sequential online irradiation steps. Critically, both photochem. reactive units (a visible-light reactive chalcone and a UV-activated photo-caged diene) are present in the reaction mixture We demonstrate the power of two color photoflow by the wavelength-selective end group modification of photo-caged polymer end groups and the subsequent polymer ring closure driven by a [2+2] cycloaddition Importantly, we evidence that the high energy gate does not induce the visible light reaction of the chalcone, which attests the true λ-orthogonal nature of the flow reaction system. For the first time, this study opens the realm of photoflow reactions to λ-orthogonal photochem. In the part of experimental materials, we found many familiar compounds, such as Ethyl 4-bromobutyrate(cas: 2969-81-5Safety of Ethyl 4-bromobutyrate)

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.Safety of Ethyl 4-bromobutyrate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2017,Gloor, Christian Simon; Denes, Fabrice; Renaud, Philippe published 《Hydrosulfonylation Reaction with Arenesulfonyl Chlorides and Tetrahydrofuran: Conversion of Terminal Alkynes into Cyclopentylmethyl Sulfones》.Angewandte Chemie, International Edition published the findings.Name: Methyl 3-bromopropanoate The information in the text is summarized as follows:

Terminal alkynes such as I underwent reactions with arylsulfonyl chlorides RSO2Cl via radical addition, translocation and cyclization reactions mediated by NaHCO3 either initiated by dilauroyl peroxide or under photochem. conditions (sunlight) in THF to yield cyclopentylmethyl sulfones such as II. When a nonracemic terminal alkyne (99:1 er) underwent the radical addition, translocation and cyclization reaction sequence, the products were formed in 75:25-88:12 er. The results came from multiple reactions, including the reaction of Methyl 3-bromopropanoate(cas: 3395-91-3Name: Methyl 3-bromopropanoate)

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.Name: Methyl 3-bromopropanoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《Oxidative C-O bond cleavage of dihydroxybenzenes and conversion of coordinated cyanide to carbon monoxide using a luminescent Os(VI) cyanonitrido complex》 were Xiang, Jing; Zhu, Jiang; Zhou, Miaomiao; Liu, Lu-Lu; Wang, Li-Xin; Peng, Min; Hou, Bi-Shun; Yiu, Shek-Man; To, Wai-Pong; Che, Chi-Ming; Lau, Kai-Chung; Lau, Tai-Chu. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2022. Category: bromides-buliding-blocks The author mentioned the following in the article:

The photoreactions of a luminescent osmium(VI) nitrido complex, [OsVI(N)(L)(CN)3]- (OsN, HL = 2-(2-hydroxy-5-nitrophenyl)benzoxazole), with catechol (H2Cat) and hydroquinone (H2Q) lead to the cleavage of strong C-OH bonds (∼120 kcal mol-1) of the dihydroxybenzenes with concomitant conversion of the coordinated cyanide to carbon monoxide. The results came from multiple reactions, including the reaction of 2-Bromobenzene-1,4-diol(cas: 583-69-7Category: bromides-buliding-blocks)

2-Bromobenzene-1,4-diol(cas: 583-69-7) 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. Moreover, several studies demonstrate that the average proportion of bromine in drugs is significantly higher than that in natural products. Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Transition metal- and light-free radical borylation of alkyl bromides and iodides using silane》 was written by Sun, Beiqi; Zheng, Sihan; Mo, Fanyang. Recommanded Product: 7051-34-5This research focused ontransition metal light free radical borylation alkyl bromide iodide; crystal structure mol structure optimized boronic ester alkyl preparation; radical borylation alkyl bromide iodide silane mechanism DFT. The article conveys some information:

We report operationally simple and neutral conditions for borylation of alkyl bromides and iodides to alkyl boronic esters under transition metal- and light-free conditions. A series of substrates with a wide range of functional groups were effectively transformed into the borylation products in moderate to good yields. Mechanistic studies, including radical clock experiments and DFT calculations, gave detailed insight into the radical borylation process. In the experiment, the researchers used many compounds, for example, (Bromomethyl)cyclopropane(cas: 7051-34-5Recommanded Product: 7051-34-5)

(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.Recommanded Product: 7051-34-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In 2022,Li, Jingjing; Ye, Jianxun; Zhou, Jiayu; Li, Jing; Liu, Delong; Zhang, Wanbin published an article in Chemical Communications (Cambridge, United Kingdom). The title of the article was 《RuPHOX-Ru catalyzed asymmetric hydrogenation of α-substituted tetralones via a dynamic kinetic resolution》.SDS of cas: 7073-94-1 The author mentioned the following in the article:

The efficient RuPHOX-Ru catalyzed asym. hydrogenation of α-substituted tetralones via a dynamic kinetic resolution has been achieved for the synthesis of chiral tetrahydronaphthols. The mechanism study indicated that hydrogenation with H2 gas, rather than transfer hydrogenation with EtOH solvent as the hydrogen source, predominates in the reaction pathway. In the part of experimental materials, we found many familiar compounds, such as 1-Bromo-2-isopropylbenzene(cas: 7073-94-1SDS of cas: 7073-94-1)

1-Bromo-2-isopropylbenzene(cas: 7073-94-1) belongs to organobromine compounds.The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.SDS of cas: 7073-94-1

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

《Iridium(I)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids》 was written by Zeng, Linwei; Chen, Renjie; Zhang, Chen; Xie, Hujun; Cui, Sunliang. Synthetic Route of C4H7BrO2 And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2020. The article conveys some information:

An iridium(I)-catalyzed hydration/esterification of 2-alkynylphenols and carboxylic acids was described. Various 2-alkynylphenols and carboxylic acids could be used in this process to furnish aromatic ortho-acyloxyketones I [R1 = H, 4-Me, 2-C≡CPh-4-Cl; R2 = n-Bu, Ph, 2-thienyl, etc.; R3 = Me, 2-naphthyl, Bn, etc.] via a regio- and stereo-selective addition reaction followed by intramol. rearrangement. Unexpectedly, changing the purification method of the products from silica gel column chromatog. to direct concentration or recrystallization resulted in exclusively obtaining (E)-enol esters II [R4 = Ph, 4-MeC6H4, 2-ClC6H4, 4-FC6H4; R5 = Ph, 2-MeC6H4, 2,4-di-O2NC6H3, etc.]. This protocol featured mild reaction conditions and broad substrate scope. To demonstrate the synthetic utility of this reaction, four obtained ortho-acyloxyketones were treated with NaH and subsequently refluxed in acetic acid gave flavones III [R1 = 2-furyl, 2-thienyl, 2-naphthyl, tetrahydropyran-4-yl]. The experimental process involved the reaction of 4-Bromobutanoic acid(cas: 2623-87-2Synthetic Route of C4H7BrO2)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Synthetic Route of C4H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The author of 《A light-responsive liposomal agent for MRI contrast enhancement and monitoring of cargo delivery》 were Reessing, F.; Stuart, M. C. A.; Samplonius, D. F.; Dierckx, R. A. J. O.; Feringa, B. L.; Helfrich, W.; Szymanski, W.. And the article was published in Chemical Communications (Cambridge, United Kingdom) in 2019. Safety of 4-Bromobutanoic acid The author mentioned the following in the article:

Medical magnetic resonance imaging (MRI) produces high-resolution anatomical images of the human body, but has limited capacity to provide useful mol. information. The light-responsive, liposomal MRI contrast agent described herein could be used to provide an intrinsic theranostic aspect to MRI and enable tracking the distribution and cargo release of drug delivery systems upon light-triggered activation. After reading the article, we found that the author used 4-Bromobutanoic acid(cas: 2623-87-2Safety of 4-Bromobutanoic acid)

4-Bromobutanoic acid(cas: 2623-87-2) belongs to carboxylic acids. The chief chemical characteristic of the carboxylic acids is their acidity. They are generally more acidic than other organic compounds containing hydroxyl groups but are generally weaker than the familiar mineral acids (e.g., hydrochloric acid, HCl, sulfuric acid, H2SO4, etc.).Safety of 4-Bromobutanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary