Month: February 2023

2-Substituted-3H-indol-3-one-1-oxides: Preparation and radical trapping properties was written by Boyer, Jeremie;Bernardes-Genisson, Vania;Farines, Vincent;Souchard, Jean-Pierre;Nepveu, Francoise. And the article was included in Free Radical Research in 2004.Computed Properties of C23H26BrP This article mentions the following:

2-Alkyl and 2-aryl substituted-3H-indol-3-one-1-oxides were prepared and evaluated for their radical trapping properties. Spin trapping and ESR experiments demonstrate the ability of these indolone-1-oxides to trap hetero- and C-centered radicals. The most stable spin adducts (lifetime of several hours) were obtained with 2-alkyl substituted nitrones, e.g. 6-ethyl-7H-[1,3]dioxolo[4,5-f]indol-7-one 5-oxide and 2-isobutyl-3H-indol-3-one 1-oxide. These two nitrones are also sensitive to redox reactions in solution Therefore this indolone-1-oxide series lacking a 灏?H atom gives rise to highly stable adducts with free radicals. In the experiment, the researchers used many compounds, for example, Isopentyltriphenylphosphonium bromide (cas: 28322-40-9Computed Properties of C23H26BrP).

Isopentyltriphenylphosphonium bromide (cas: 28322-40-9) 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. 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.Computed Properties of C23H26BrP

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

An integration of condensation/Ullmann-type coupling/bicyclization sequences: copper-catalyzed three-component direct synthesis of [1,2,4]triazolo[1,5-b]isoquinolin-5(1H)-ones was written by Jia, Feng-Cheng;Xu, Cheng;Cai, Qun;Wu, An-Xin. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2014.SDS of cas: 653-92-9 This article mentions the following:

A highly efficient three-component domino protocol has been developed for the synthesis of [1,2,4]triazolo[1,5-b]isoquinolin-5(1H)-ones from simple and readily available o-halogenated benzohydrazides, aldehydes and nitriles. This domino process involves sequential selective condensation, copper-catalyzed intermol. C-arylation and bicyclization. Notably, the use of ligands and anaerobic conditions can be avoided in this reaction. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9SDS of cas: 653-92-9).

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Oxacyclanes was written by Kirrmann, A.;Hamaide, N.. And the article was included in Bulletin de la Societe Chimique de France in 1957.Quality Control of 1-Bromo-6-methoxyhexane This article mentions the following:

Oxacyclanes were formed by heating 绾? 鏈? or 钄?methoxylated alkyl bromides with FeCl₃. NaOMe (1 mole) in MeOH added slowly with stirring to 1 mole dibromoalkane at 60鎺? the mixture boiled gently 4 hrs. and cooled, the washed and dried product distilled, and the bromo methoxy alkane fraction carefully redistilled in vacuo gave MeO(CH₂)₆Br, b₁₄ 94鎺? n_D²⁰ 1.458, d₂₀ 1.1942, MeCH(OMe)CH₂CH₂CHBrMe, b₃₅ 100鎺? n_D²⁰ 1.441, d₂₀1.1824, MeO(CH₂)₅Br, b₁₅ 76鎺? n_D²⁰ 1.455, d₂₀ 1.2420, and MeO(CH₂)₄Br (I), b₁₅ 60鎺? n_D²⁰ 1.452, d₂₀ 1.3052, in 56, 53, 55, and 57% yields, resp. Regulated mild distillation of these products in the presence of a few mg. FeCl₃ gave the oxacyclanes (compound, % yield, b.p., n_D²⁰, d₂₀, 浣?in 娓?: tetrahydrofuran, 100, 67鎺? 1.407, 0.8874, 3.34, 6.85, 9.34; tetrahydropyran, 100, 88鎺? 1.4205, 0.8851, 3.30, 6.92, 9.12, 11.46, 12.26; hexamethylene oxide, 70, 116鎺? 1.4355, 0.895, 3.42, 6.90, 8.80, 9.02, 10.04, 10.30, 12.22, 12.44; 2,5-dimethyltetrahydrofuran, 80, 96鎺? 1.410, 0.8373, 3.3, 6.8, 7.2, 9.1, 11.3, 11.94, 12.1. The MeBr formed in the cyclization of I was condensed at -15鎺?with anhydrous Et₂O and Mg, the MeMgBr treated with BzH and the MePhCHOH formed identified as the phenylurethan. The mechanism of the reaction was interpreted through the intermediary formation of a tertiary oxonium salt. In the experiment, the researchers used many compounds, for example, 1-Bromo-6-methoxyhexane (cas: 50592-87-5Quality Control of 1-Bromo-6-methoxyhexane).

1-Bromo-6-methoxyhexane (cas: 50592-87-5) 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. 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.Quality Control of 1-Bromo-6-methoxyhexane

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Syntheses of polyfunctionalized resveratrol derivatives using Wittig and Heck protocols was written by Chalal, Malik;Vervandier-Fasseur, Dominique;Meunier, Philippe;Cattey, Helene;Hierso, Jean-Cyrille. And the article was included in Tetrahedron in 2012.Name: 5-Bromo-2-(hydroxymethyl)phenol This article mentions the following:

Improved protocols for Wittig reaction and palladium-catalyzed Heck coupling give expedient access to a series of unprecedented polyfunctionalized artificial-resveratrol derivatives, e.g., I. In the modified Wittig protocol, trimethylsilyl was used as a highly valuable protective group of the phenolic functions of starting aromatic materials. A clean O-alkylation of hydroxylated stilbenes with ethylene carbonate was also conducted. Thus, Wittig reaction followed by hydroxyethylation take place one-pot with only carbon dioxide as waste. Addnl., a palladium-catalyzed Heck coupling strategy was developed by using ferrocenyl phosphane ligands, and multi-functionalized hydroxylated stilbenes were obtained without the need of any protection/deprotection sequence. Up to six functional groups are introduced by these procedures, which limit the number of reaction steps, the waste toxicity, and the use of costly reagents. In the experiment, the researchers used many compounds, for example, 5-Bromo-2-(hydroxymethyl)phenol (cas: 170434-11-4Name: 5-Bromo-2-(hydroxymethyl)phenol).

5-Bromo-2-(hydroxymethyl)phenol (cas: 170434-11-4) 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. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: 5-Bromo-2-(hydroxymethyl)phenol

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Multichromophoric cyclodextrins. 1. Synthesis of O-naphthoyl-灏?cyclodextrins and investigation of excimer formation and energy hopping was written by Berberan-Santos, Mario N.;Canceill, Josette;Brochon, Jean Claude;Jullien, Ludovic;Lehn, Jean Marie;Pouget, Jacques;Tauc, Patrick;Valeur, Bernard. And the article was included in Journal of the American Chemical Society in 1992.Formula: C42H63Br7O28 This article mentions the following:

The synthesis and photophys. properties of 灏?cyclodextrins bearing seven 2-naphthoyloxy chromophores in specific positions, either on the primary face or the secondary face, or 14 naphthoyloxy chromophores, seven on each face, are reported. These multichromophoric cyclodextrins are good models for the study of excitation energy migration among chromophores in well-defined positions. The investigation was performed in CH₂Cl₂ and in a mixture of EtOH and MeOH that can form in a glass at low temperature The absorption spectra show that the interactions between chromophores in the ground state are weak, whereas the fluorescence spectra reveal the existence of excimers at room temperature but not at low temperature in a rigid glass. Further evidence of excimer formation is provided by the fluorescence decays. Since excimers act as energy traps, the energy hopping process was studied in a rigid glass at low temperature by steady-state and time-resolved fluorescence depolarization techniques. The steady-state anisotropy is found to be one seventh of the theor. limiting anisotropy 0.4, which means that excitation energy hops between chromophores with essentially randomly oriented transition moments at a rate much higher than the chromophore intrinsic decay rate. Energy hopping is indeed very fast as shown by the fluorescence anisotropy decay which is at least as fast as the apparatus time resolution (a few tens of picoseconds). In the experiment, the researchers used many compounds, for example, Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1Formula: C42H63Br7O28).

Heptakis(6-Bromo-6-Deoxy)-灏?Cyclodextrin (cas: 53784-83-1) 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. 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.Formula: C42H63Br7O28

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2 was written by Scheuermann, Thomas H.;Stroud, Daniel;Sleet, Christopher E.;Bayeh, Liela;Shokri, Cameron;Wang, Hanzhi;Caldwell, Charles G.;Longgood, Jamie;MacMillan, John B.;Bruick, Richard K.;Gardner, Kevin H.;Tambar, Uttam K.. And the article was included in Journal of Medicinal Chemistry in 2015.Name: Methyl 3-bromo-5-fluorobenzoate This article mentions the following:

Hypoxia inducible factor (HIF) transcription factors reside at the center of signaling pathways used by mammalian cells to sense and respond to low oxygen levels. While essential to maintain oxygen homeostasis, misregulation of HIF protein activity correlates with tumor development and metastasis. To provide artificial routes to target misregulated HIF activity, the authors identified small mol. antagonists of the HIF-2 transcription factor that bind an internal cavity within the C-terminal PAS domain of the HIF-2浼?subunit. Here the authors describe a new class of chiral small mol. ligands that provide the highest affinity binding, the most effective, isoform-selective inhibition of HIF-2 in cells, and trigger the largest protein conformation changes reported to date. The current results further illuminate the mol. mechanism of HIF-2 antagonism and suggest addnl. routes to develop higher affinity and potency HIF-2 antagonists. In the experiment, the researchers used many compounds, for example, Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8Name: Methyl 3-bromo-5-fluorobenzoate).

Methyl 3-bromo-5-fluorobenzoate (cas: 334792-52-8) 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. The principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Name: Methyl 3-bromo-5-fluorobenzoate

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Multivalent Approach to the Design and Discovery of Orally Efficacious 5-HT₄ Receptor Agonists was written by McKinnell, R. Murray;Armstrong, Scott R.;Beattie, David T.;Choi, Seok-Ki;Fatheree, Paul R.;Gendron, Roland A. L.;Goldblum, Adam;Humphrey, Patrick P.;Long, Daniel D.;Marquess, Daniel G.;Shaw, J. P.;Smith, Jacqueline A. M.;Turner, S. Derek;Vickery, Ross G.. And the article was included in Journal of Medicinal Chemistry in 2009.Product Details of 954-81-4 This article mentions the following:

5-HT₄ receptor agonists such as tegaserod have demonstrated efficacy in the treatment of constipation predominant irritable bowel syndrome (IBS-C), a highly prevalent disorder characterized by chronic constipation and impairment of intestinal propulsion, abdominal bloating, and pain. The 5-HT₄ receptor binding site can accommodate functionally and sterically diverse groups attached to the amine nitrogen atom of common ligands, occupying what may be termed a “secondary” binding site. Using a multivalent approach to lead discovery, the effects of varying the position and nature of the secondary binding group were investigated as a strategy to achieve the desired 5-HT₄ agonist pharmacol. profile. It was shown that the ability of amine-based secondary binding groups to impart exceptional gains in the binding affinity, selectivity, and functional potency of 5-HT₄ agonists. Optimization of the leads generated by this approach afforded compound I, a selective, orally efficacious 5-HT₄ agonist for the potential treatment of gastrointestinal motility-related disorders. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Product Details of 954-81-4).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) belongs to organobromine compounds. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon閳ユ彽romine bond is electrophilic, i.e. alkyl bromides are alkylating agents. 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.Product Details of 954-81-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Indanylidenes. 2. Design and Synthesis of (E)-2-(4-Chloro-6-fluoro-1-indanylidene)-N-methylacetamide, a Potent Antiinflammatory and Analgesic Agent without Centrally Acting Muscle Relaxant Activity was written by Musso, David L.;Orr, G. Faye;Cochran, Felicia R.;Kelley, James L.;Selph, Jeffrey L.;Rigdon, Greg C.;Cooper, Barrett R.;Jones, Michael L.. And the article was included in Journal of Medicinal Chemistry in 2003.Computed Properties of C7H5Br2F This article mentions the following:

Extension of the structure-activity relationship studies that led to the discovery of the nonsedating potent muscle relaxant, antiinflammatory, and analgesic agent (E)-2-(4,6-difluoro-1-indanylidene)acetamide has given rise to (E)-2-(4-chloro-6-fluoro-1-indanylidene)-N-methylacetamide (I). I is a potent antiinflammatory and analgesic agent without centrally acting muscle relaxant activity. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Computed Properties of C7H5Br2F).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) 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. 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.Computed Properties of C7H5Br2F

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and fungicidal activities of boscalid and its analogs was written by Yu, Kang-ping;Li, Ze-fang;Yin, Hong-bo;Liu, Mu-lan;Li, Hui. And the article was included in Xiandai Nongyao in 2015.Safety of 4-Bromo-4′-tert-butylbiphenyl This article mentions the following:

A novel method was employed for preparing boscalid and its alkyl analogs via Friedel-Crafts alkylation, nitration, reduction, condensation, and reverse Friedel-Crafts alkylation from 4-halobiphenyl. Then boscalid and seven analogs were confirmed by ¹H NMR, mass spectrum and IR anal. Preliminary bioassays indicated that the target compounds were effective to some of tested pathogens at 50 mg/L. In the experiment, the researchers used many compounds, for example, 4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1Safety of 4-Bromo-4′-tert-butylbiphenyl).

4-Bromo-4′-tert-butylbiphenyl (cas: 162258-89-1) 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. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Safety of 4-Bromo-4′-tert-butylbiphenyl

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

QSAR’s from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods was written by Good, Andrew C.;Peterson, Stephen J.;Richards, W. Graham. And the article was included in Journal of Medicinal Chemistry in 1993.SDS of cas: 6515-58-8 This article mentions the following:

It has recently been shown that good quant. structure-activity relationships can be obtained through statistical anal. of mol. similarity matrixes. Here we extend the technique to seven addnl. mol. series, previously studied using Comparative Mol. Field Anal. (CoMFA) methodol. The results are used to confirm technique applicability across a wider range of QSAR problems and to compare quant. the ability of various similarity indexes to describe biol. systems. The relative merits of this technique in comparison to CoMFA are discussed. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8SDS of cas: 6515-58-8).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) 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). When the molecular ion is detected, the bromine and chlorine isotope patterns are very distinct, but caution is to be exercised for certain mixed chlorinated/brominated compounds, which can look similar to homohalogen patterns.SDS of cas: 6515-58-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary