Tag: 200-300

NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring was written by D’Aleo, Anthony;Heresanu, Vasile;Giorgi, Michel;Le Guennic, Boris;Jacquemin, Denis;Fages, Frederic. And the article was included in Journal of Physical Chemistry C in 2014.Computed Properties of C8H6Br2O2 This article mentions the following:

The synthesis of BF₂ complexes of 2′-hydroxychalcone derivatives containing the hydroxynaphthone ring is reported. TD-DFT calculations confirm the charge transfer character of the lowest-energy transition band and reveal large values for the ground-state dipole moment. The fluorescence emission spectra in the solid state are considerably red shifted relative to those in solution, leading to maximum emission wavelengths spanning from the far red to the NIR. The emission properties are clearly characteristic of tightly packed chromophores with strong excitonic coupling, as confirmed by x-ray structure anal. and electronic absorption spectroscopy. The optical properties of the 6 dyes 1-BF₂-6-BF₂ are discussed in terms of interchromophoric interactions in the crystal and dipole moment values. Dyes 3-BF₂ and 4-BF₂ emit light at 690 and 751 nm with 13% and 6.5% efficiencies, resp., and as such they represent very appealing materials. Compound 6-BF₂ presents an emission maximum wavelength at 804 nm with a fluorescence quantum yield value of 2%. This class of solid-state fluorophores may lead to exciting prospects for the generation of advanced materials. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Computed Properties of C8H6Br2O2).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. alpha-Bromoesters are employed in the Reformatsky reaction for the synthesis of beta-hydroxyesters. Many of the alkyl bromine derivatives are excellent alkylating agents since bromides are good leaving groups. Tribromides, like tetrabutylammonium tribromide, are used as a solid source of bromine. N-bromosuccimide (NBS) is used for the selective bromination of allylic bonds.Computed Properties of C8H6Br2O2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New Broad-Spectrum Antibiotics Containing a Pyrrolobenzodiazepine Ring with Activity against Multidrug-Resistant Gram-Negative Bacteria was written by Picconi, Pietro;Hind, Charlotte K.;Nahar, Kazi S.;Jamshidi, Shirin;Di Maggio, Lucia;Saeed, Naima;Evans, Bonnie;Solomons, Jessica;Wand, Matthew E.;Sutton, J. Mark;Rahman, Khondaker Miraz. And the article was included in Journal of Medicinal Chemistry in 2020.Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate This article mentions the following:

It is urgent to find new antibiotic classes with activity against multidrug-resistant (MDR) Gram-neg. pathogens as the pipeline of antibiotics is essentially empty. Modified pyrrolobenzodiazepines with a C8-linked aliphatic heterocycle provide a new class of broad-spectrum antibacterial agents with activity against MDR Gram-neg. bacteria, including WHO priority pathogens. The structure-activity relationship established that the third ring was particularly important for Gram-neg. activity. Min. inhibitory concentrations for the lead compounds ranged from 0.125 to 2 mg/L for MDR Gram-neg., excluding Pseudomonas aeruginosa, and between 0.03 and 1 mg/L for MDR Gram-pos. species. The lead compounds were rapidly bactericidal with >5 log reduction in viable count within 4 h for Acinetobacter baumannii and Klebsiella pneumoniae. The lead compound inhibited DNA gyrase in gel-based assays, with an IC₅₀ of 3.16 ± 1.36 mg/L. This study provides a new chem. scaffold for developing novel broad-spectrum antibiotics which can help replenish the pipeline of antibiotics. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate).

Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate (cas: 1196-90-3) belongs to organobromine compounds. 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. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Name: Methyl 4-bromo-1-methyl-1H-pyrrole-2-carboxylate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Catalytic enantioselective desymmetrizing functionalization of alkyl radicals via Cu(I)/CPA cooperative catalysis was written by Cheng, Yong-Feng;Liu, Ji-Ren;Gu, Qiang-Shuai;Yu, Zhang-Long;Wang, Jian;Li, Zhong-Liang;Bian, Jun-Qian;Wen, Han-Tao;Wang, Xiao-Jing;Hong, Xin;Liu, Xin-Yuan. And the article was included in Nature Catalysis in 2020.Synthetic Route of C10H11BrO2 This article mentions the following:

A general and efficient catalytic enantioselective desymmetrizing functionalization of alkene-tethered 1,3-diols was developed. It provided various tetrahydrofurans and analogs such as I [R¹ = H, 3-furyl, 4-BrC₆H₄, etc.; R² = 3-MeOC₆H₄, 3-furyl, 1-naphthyl, etc.; R³ = CF₃, n-C₄F₉] bearing multiple stereocenters with remarkably high levels of enantio- and diastereocontrol. DFT calculations and mechanistic experiments revealed a reaction mechanism involving an enantiodetermining outer-sphere C-O bond formation step. In the experiment, the researchers used many compounds, for example, Ethyl (2-bromophenyl)acetate (cas: 2178-24-7Synthetic Route of C10H11BrO2).

Ethyl (2-bromophenyl)acetate (cas: 2178-24-7) belongs to organobromine compounds. Organo bromine compounds are versatile compounds and are widely used in diverse fields. Organo bromine derivatives are used in the dye sector, as an indicator in analytical chemistry (Bromothymol blue is a popular indicator). The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Synthetic Route of C10H11BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of 1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-ones based novel, potent and PI3Kδ selective inhibitors was written by Bahekar, Rajesh;Dave, Bhushan;Soman, Shubhangi;Patel, Dipam;Chopade, Rajendra;Funde, Radhika;Kumar, Jeevan;Sachchidanand, S.;Giri, Poonam;Chatterjee, Abhijit;Mahapatra, Jogeswar;Vyas, Purvi;Ghoshdastidar, Krishnarup;Bandyopadhyay, Debdutta;Desai, Ranjit C.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2019.Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene This article mentions the following:

PI3Kδ is implicated in various inflammatory and autoimmune diseases. For the effective treatment of chronic immunol. disorders such as rheumatoid arthritis, it is essential to develop isoform selective PI3Kδ inhibitors. Structure guided optimization of an imidazo-quinolinones based pan-PI3K/m-TOR inhibitor (Dactolisib) led to the discovery of a potent and orally bioavailable PI3Kδ isoform selective inhibitor (10h), with an improved efficacy in the animal models. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Novel squaramides with in vitro liver stage antiplasmodial activity was written by Ribeiro, Carlos J. A.;Espadinha, Margarida;Machado, Marta;Gut, Jiri;Goncalves, Lidia M.;Rosenthal, Philip J.;Prudencio, Miguel;Moreira, Rui;Santos, Maria M. M.. And the article was included in Bioorganic & Medicinal Chemistry in 2016.Related Products of 954-81-4 This article mentions the following:

A structure-activity relationship study was performed with ten 8-aminoquinoline-squaramides compounds active against liver stage malaria parasites, using human hepatoma cells (Huh7) infected by Plasmodium berghei parasites. In addition, their blood-schizontocidal activity was assessed against chloroquine-resistant W2 strain Plasmodium falciparum. Compound I was 7.3-fold more potent than the pos. control primaquine against liver-stage parasites, illustrating the importance of the squarate moiety to activity. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Related Products of 954-81-4).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromo compounds are employed in a variety of metal-catalyzed coupling reactions. They are also ideal candidates for the synthesis of Grignard reagents that have wide-applicability in organic synthesis. Bromine-containing agents predominate because not only are they more efficient than similar chlorine-containing species, but also the high atomic weight of bromine ensures that it is present in a high mass fraction within most organobromine compounds.Related Products of 954-81-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bromination of anilines in superacids was written by Berrier, C.;Jacquesy, J. C.;Renoux, A.. And the article was included in Bulletin de la Societe Chimique de France in 1990.COA of Formula: C6H5Br2N This article mentions the following:

In HF-SbF₅, bromination of PhNH₂ at -40° with Br (0.6 equiv) gives 2-, 3-, and 4-BrC₆H₄NH₂ in 3, 24, and 50% yields, resp. These percentages reflect the relative reactivities of the 2-, 3-, and 4-positions, no isomerization occurring at -40°. At room temperature, the products equilibrate intramolecularly by 1,2-Br shifts. Dibromination of PhNH₂ (1.2 equiv Br) gives 10% 2,5- and 55% 3,4-Br₂C₆H₃NH₂. Under similar conditions, 3- and 4-MeC₆H₄NH₂ give 47% 3,4-MeBrC₆H₃NH₂ and 80% 4,3-MeBrC₆H₃NH₂, resp. In the experiment, the researchers used many compounds, for example, 3,4-Dibromoaniline (cas: 615-55-4COA of Formula: C6H5Br2N).

3,4-Dibromoaniline (cas: 615-55-4) belongs to organobromine compounds. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.COA of Formula: C6H5Br2N

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery and Characterization of 2-Nitro-5-(4-(phenylsulfonyl)piperazin-1-yl)-N-(pyridin-4-ylmethyl)anilines as Novel Inhibitors of the Aedes aegypti Kir1 (AeKir1) Channel was written by Aretz, Christopher D.;Morwitzer, M. Jane;Sanford, Austin G.;Hogan, Alicia M.;Portillo, Madelene V.;Kharade, Sujay V.;Kramer, Meghan;McCarthey, James B.;Trigueros, Renata Rusconi;Piermarini, Peter M.;Denton, Jerod S.;Hopkins, Corey R.. And the article was included in ACS Infectious Diseases in 2019.Application In Synthesis of Methyl 4-bromo-2-fluorobenzoate This article mentions the following:

Mosquito-borne arboviral diseases such as Zika, dengue fever, and chikungunya are transmitted to humans by infected adult female Aedes aegypti mosquitoes and affect a large portion of the world’s population. The Kir1 channel in Ae. aegypti (AeKir1) is an important ion channel in the functioning of mosquito Malpighian (renal) tubules and one that can be manipulated in order to disrupt excretory functions in mosquitoes. We have previously reported the discovery of various scaffolds that are active against the AeKir1 channel. Herein we report the synthesis and biol. characterization of a new 2-nitro-5-(4-(phenylsulfonyl) piperazin-1-yl)-N-(pyridin-4-ylmethyl)anilines scaffold as inhibitors of AeKir1. This new scaffold is more potent in vitro compared to the previously reported scaffolds, and the mols. kill mosquito larvae. In the experiment, the researchers used many compounds, for example, Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2Application In Synthesis of Methyl 4-bromo-2-fluorobenzoate).

Methyl 4-bromo-2-fluorobenzoate (cas: 179232-29-2) belongs to organobromine compounds. Many of the organo bromine compounds are relatively nonpolar. Bromine is more electronegative than carbon (2.8 vs 2.5) and hence the carbon in a carbon–bromine bond is electrophilic in nature. The reactivity of organobromine compounds resembles but is intermediate between the reactivity of organochlorine and organoiodine compounds. For many applications, organobromides represent a compromise of reactivity and cost.Application In Synthesis of Methyl 4-bromo-2-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design, Synthesis and Evaluation of Novel 2-(Aminoalkyl)-isoindoline-1,3-dione Derivatives as Dual-Binding Site Acetylcholinesterase Inhibitors was written by Ignasik, Michalina;Bajda, Marek;Guzior, Natalia;Prinz, Michaela;Holzgrabe, Ulrike;Malawska, Barbara. And the article was included in Archiv der Pharmazie (Weinheim, Germany) in 2012.Electric Literature of C13H14BrNO2 This article mentions the following:

A new series of 2-(diethylaminoalkyl)-isoindoline-1,3-dione derivatives intended as dual binding site cholinesterase inhibitors were designed using mol. modeling and evaluated as inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE), and the formation of the β-amyloid (Aβ) plaques. For AChE inhibitory activity, the spectrophotometric method of Ellman and the electrophoretically mediated microanal. assay were used, giving good results. Most of the synthesized compounds had AChE inhibitory activity with IC₅₀ values ranging from IC₅₀ = 0.9 to 19.5 μM and weak Aβ anti-aggregation inhibitory activity. These results support the outcome of docking studies which tested compounds targeting both the catalytic active site (CAS) and the peripheral anionic site (PAS) of AChE. The most promising selective AChE inhibitors are compounds 10 (IC₅₀ = 1.2 μM) and 11 (IC₅₀ = 1.1 μM), with 6-7 methylene chains, which also inhibit Aβ fibril formation. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Electric Literature of C13H14BrNO2).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. 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. One prominent application of synthetic organobromine compounds is the use of polybrominated diphenyl ethers as fire-retardants, and in fact fire-retardant manufacture is currently the major industrial use of the element bromine.Electric Literature of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Palladium-Catalyzed Intramolecular Aromatic C-H Acylation of 2-Arylbenzoyl Fluorides was written by Sakurai, Yuka;Ikai, Kana;Hayakawa, Kazuki;Ogiwara, Yohei;Sakai, Norio. And the article was included in Bulletin of the Chemical Society of Japan in 2021.Formula: C8H6BrFO2 This article mentions the following:

The catalytic intramol. cyclization of acyl fluorides using a Pd(OAc)₂/PCy₃ system was described for the synthesis of fluorenone precursors I [R = H, 5-Me, 5-F; R¹ = 3-Me, 2-OMe, 2-Cl, etc]. A wide range of 2-arylbenzoyl fluoride derivatives could be used as fluorenone precursors and the reaction proceeded via an intramol. coupling between aromatic C-H bonds with acyl C-F bonds. The reaction could be applied to the synthesis of indenofluorenedione derivatives and to the construction of other mols. with five-membered rings. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Formula: C8H6BrFO2).

Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9) belongs to organobromine compounds. 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. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Formula: C8H6BrFO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Stereocontrolled Synthesis of Fluorinated Isochromans via Iodine(I)/Iodine(III) Catalysis was written by Hafliger, Joel;Sokolova, Olga O.;Lenz, Madina;Daniliuc, Constantin G.;Gilmour, Ryan. And the article was included in Angewandte Chemie, International Edition in 2022.Recommanded Product: 2-Bromo-4-(trifluoromethyl)benzaldehyde This article mentions the following:

The ubiquity of isochromans across the bioactive small mol. spectrum, the prominence of the anomeric effect in regulating conformation and the metabolic lability of the benzylic position, iodine(I)/iodine(III) catalysis was leveraged for the stereocontrolled generation of selectively fluorinated analogs. To augment the current arsenal of fluorocyclization reactions involving carboxylic acid derivatives, the reaction of readily accessible 2-vinyl benzaldehydes was disclosed (up to >95 : 05 d.r. and 97 : 03 e.r.). Key stereoelectronic interactions manifest themselves in the X-ray crystal structures of the products, thereby validating the [CH₂-CHF] fragment as a stereoelectronic mimic of the [O-CH(OR)] acetal motif. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Recommanded Product: 2-Bromo-4-(trifluoromethyl)benzaldehyde).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) 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. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Recommanded Product: 2-Bromo-4-(trifluoromethyl)benzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary