Tag: 200-300

Dehydrohalogenation of ethyl halides was written by Ahubelem, Nwakamma;Altarawneh, Mohammednoor;Dlugogorski, Bogdan Z.. And the article was included in Tetrahedron Letters in 2014.Synthetic Route of C9H11BrO This article mentions the following:

Unimol. decomposition kinetics of selected Et halides, phenethyl halides and methoxyphenethyl halides were studied using high level computational chem. methods. The phenethyl halides decompose faster than the Et halides due to a more electroneg. chlorine atom, induced by the chloroethyl functionality as an electron-withdrawing group. 1-Chloro-2-(methylthio)ethane exhibits faster dehydrochlorination than that of chloroethane/1-chloro-2-methoxyethane, owing to more polarizable C···H and C···Cl bonds in the transition structures. Calculations suggest that electronic factors rather than anchimeric assistance influence the dehydrochlorination reactions. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Synthetic Route of C9H11BrO).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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 C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Using boronolectin in MALDI-MS imaging for the histological analysis of cancer tissue expressing the sialyl Lewis X antigen was written by Dai, Chaofeng;Cazares, Lisa H.;Wang, Lifang;Chu, Yong;Wang, Siming L.;Troyer, Dean A.;Semmes, O. John;Drake, Richard R.;Wang, Binghe. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2011.Synthetic Route of C12H16BBrO2 This article mentions the following:

Certain carbohydrate-based biomarkers are known to correlate with cancer formation and progression. By targeting sialyl Lewis X, the authors have developed the first boronolectin-MS tag conjugate, which allows for MALDI-based imaging of cancer based on its cell surface carbohydrate. In the experiment, the researchers used many compounds, for example, 2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 166821-88-1Synthetic Route of C12H16BBrO2).

2-(2-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane (cas: 166821-88-1) 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.Synthetic Route of C12H16BBrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A convenient one-pot access to phenanthridinones via Suzuki-Miyaura cross-coupling reaction was written by Tanimoto, Kouichi;Nakagawa, Naomichi;Takeda, Kazutaka;Kirihata, Mitsunori;Tanimori, Shinji. And the article was included in Tetrahedron Letters in 2013.Synthetic Route of C8H6BrFO2 This article mentions the following:

A convenient one-step access to biol. important phenanthridinones has been realized based upon Suzuki-Miyaura cross-coupling reaction. Reactions of 2-aminophenylboronic acid with 2-halobenzoate took place smoothly to afford substituted phenanthridinones in excellent yields in the presence of palladium(II) acetate and 2-dicyclohexylphosphino-2′,6′-dimethoxybiphenyl (SPhos) as pre-catalysts. A natural product phenaglydon was synthesized in one-pot manner from readily available starting materials in 95% yield. In the experiment, the researchers used many compounds, for example, Methyl 2-bromo-4-fluorobenzoate (cas: 653-92-9Synthetic Route of C8H6BrFO2).

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Light-mediated deoxygenation of alcohols with a dimeric gold catalyst was written by McCallum, Terry;Slavko, Ekaterina;Morin, Mathieu;Barriault, Louis. And the article was included in European Journal of Organic Chemistry in 2015.Related Products of 14425-64-0 This article mentions the following:

A new light-mediated protocol for the reductive deoxygenation of primary alcs. using dimeric gold ([Au₂(dppm)₂]Cl₂) as photoredox catalyst was reported. Moreover, the use of UVA light-emitting diodes significantly reduced reaction times and also lowered the setup cost. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Related Products of 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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. 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.Related Products of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Asymmetric synthesis of functionalized tetrahydrofluorenones via an NHC-catalyzed homoenolate Michael addition was written by Shu, Tao;Li, Sun;Chen, Xiang-Yu;Liu, Qiang;von Essen, Carolina;Rissanen, Kari;Enders, Dieter. And the article was included in Chemical Communications (Cambridge, United Kingdom) in 2018.Computed Properties of C8H4BrF3O This article mentions the following:

The first example of an N-heterocyclic carbene-catalyzed asym. desymmetrization of enal-tethered cyclohexadienones via an intramol. homoenolate Michael addition/esterification reaction was described. This new protocol offered a direct entry to various functionalized tetrahydrofluorenones with three contiguous stereocenters in high yields, good diastereoselectivities and excellent enantioselectivities. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Computed Properties of C8H4BrF3O).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) belongs to organobromine compounds. 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. 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.Computed Properties of C8H4BrF3O

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mechanistic change in the reactivity of substituted phenyl acetates over phenyl thiolacetates toward imidazole in aqueous phase was written by Rajarathnam, D.;Jeyakumar, T.;Nadar, P. Ananthakrishna. And the article was included in International Journal of Chemical Kinetics in 2005.SDS of cas: 35065-86-2 This article mentions the following:

The kinetics of aminolysis of several substituted Ph acetates by imidazole is studied in aqueous medium at 20°C and an ionic strength of 0.1 M (KCl). By following the leaving groups spectrophotometrically (λ_max = 272-401 nm), under excess free imidazole, pseudo-first-order rate constants (k_obs) are obtained. For the esters with good nucleofuges, the reaction follows clean second-order kinetics and the plots of (k_obs – k_H) against free imidazole concentration are linear at constant pH. The macroscopic nucleophilic substitution rate constants (k_N) are obtained as the slopes of these plots and are pH independent. For the esters with poor nucleofuges, a rate dependence on more than first power of the free imidazole and a linear dependence of k’₂ on free imidazole is observed Accordingly, the microscopic rate constants for the assisted paths viz. k_ga and k_gb were disseminated besides for simple bimol. attack. The Broensted-type plots and Hammett plots were constructed whose slope values are consistent with a stepwise mechanism through a bipolar tetrahedral addition intermediate whose formation or breakdown being rate determining for various paths. Comparison of this reaction of oxyesters with the earlier reported works on similar reaction of analog thiolesters under identical reaction conditions showed remarkable mechanistic differences which are discussed. The discussion is extended to include the details on previously studied ammonolysis of these two types of esters wherein thiolesters showed differed reactivity than that reported. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2SDS of cas: 35065-86-2).

3-Bromophenyl acetate (cas: 35065-86-2) 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.SDS of cas: 35065-86-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Site-Selective, Remote sp³ C-H Carboxylation Enabled by the Merger of Photoredox and Nickel Catalysis was written by Sahoo, Basudev;Bellotti, Peter;Julia-Hernandez, Francisco;Meng, Qing-Yuan;Crespi, Stefano;Koenig, Burkhard;Martin, Ruben. And the article was included in Chemistry – A European Journal in 2019.Synthetic Route of C9H11BrO This article mentions the following:

In the presence of (bipyridine)nickel(II) bromides and the photoredox catalyst CzIPN, arylalkyl bromides such as PhCH₂CH₂Br underwent regioselective photochem. carboxylation with CO₂ to yield carboxylic acids such as α-methylphenylacetic acid. Alkyl halides in the presence of CzIPN and a related (bipyridine)nickel(II) bromide underwent regioselective carboxylation to give unbranched carboxylic acids; a mixture of bromoheptanes reacted to yield octanoic acid regioselectively. Exptl. and computational studies of the reaction mechanism were performed; a mechanism involving dynamic displacement of the catalyst throughout the alkyl chain is proposed. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Synthetic Route of C9H11BrO).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) belongs to organobromine compounds. 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. 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 C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Discovery of Highly Potent Liver X Receptor β Agonists was written by Kick, Ellen K.;Busch, Brett B.;Martin, Richard;Stevens, William C.;Bollu, Venkataiah;Xie, Yinong;Boren, Brant C.;Nyman, Michael C.;Nanao, Max H.;Nguyen, Lam;Plonowski, Artur;Schulman, Ira G.;Yan, Grace;Zhang, Huiping;Hou, Xiaoping;Valente, Meriah N.;Narayanan, Rangaraj;Behnia, Kamelia;Rodrigues, A. David;Brock, Barry;Smalley, James;Cantor, Glenn H.;Lupisella, John;Sleph, Paul;Grimm, Denise;Ostrowski, Jacek;Wexler, Ruth R.;Kirchgessner, Todd;Mohan, Raju. And the article was included in ACS Medicinal Chemistry Letters in 2016.Synthetic Route of C9H8BrFO2 This article mentions the following:

Introducing a uniquely substituted Ph sulfone into a series of biphenyl imidazole liver X receptor (LXR) agonists afforded a dramatic potency improvement for induction of ATP binding cassette transporters, ABCA1 and ABCG1, in human whole blood. The agonist series demonstrated robust LXRβ activity (>70%) with low partial LXRα agonist activity (<25%) in cell assays, providing a window between desired blood cell ABCG1 gene induction in cynomolgus monkeys and modest elevation of plasma triglycerides for agonist I. The addition of polarity to the Ph sulfone also reduced binding to the plasma protein, human α-1-acid glycoprotein. Agonist I was selected for clin. development based on the favorable combination of in vitro properties, excellent pharmacokinetic parameters and a favorable lipid profile. In the experiment, the researchers used many compounds, for example, Ethyl 4-bromo-2-fluorobenzoate (cas: 474709-71-2Synthetic Route of C9H8BrFO2).

Ethyl 4-bromo-2-fluorobenzoate (cas: 474709-71-2) 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.Synthetic Route of C9H8BrFO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Understanding of Molecular Substructures that Contribute to hERG K⁺ Channel Blockade: Synthesis and Biological Evaluation of E-4031 Analogues was written by Vilums, Maris;Overman, Jeroen;Klaasse, Elisabeth;Scheel, Olaf;Brussee, Johannes;Ijzerman, Adriaan P.. And the article was included in ChemMedChem in 2012.SDS of cas: 14425-64-0 This article mentions the following:

Cardiotoxicity is a common side effect of a large variety of drugs that is often caused by off-target human ether-a-go-go-related gene (hERG) potassium channel blockade. In this study, we designed and synthesized a series of derivatives of the class III antiarrhythmic agent E-4031. These compounds where evaluated in a radioligand binding assay and automated patch clamp assay to establish structure-activity relationships (SAR) for their inhibition of the hERG K⁺ channel. Structural modifications of E-4031 were made by altering the peripheral aromatic moieties with a series of distinct substituents. Addnl., we synthesized several derivatives with a quaternary nitrogen and modified the center of the mol. by introduction of an addnl. nitrogen and deletion of the carbonyl oxygen. Some modifications caused a great increase in affinity for the hERG K⁺ channel, while other seemingly minor changes led to a strongly diminished affinity. Structures with quaternary amines carrying an addnl. aromatic moiety were found to be highly active in radioligand binding assay. A decrease in affinity was achieved by introducing an amide functionality in the central scaffold without directly interfering with the pK_a of the essential basic amine. The knowledge gained from this study could be used in early stages of drug discovery and drug development to avoid or circumvent hERG K⁺ channel blockade, thereby reducing the risk of cardiotoxicity, related arrhythmias and sudden death. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0SDS of cas: 14425-64-0).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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.SDS of cas: 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis and structure activity relationship of 1,3-benzo-thiazine-2-thiones as selective HDAC8 inhibitors was written by Wolff, Benjamin;Jaensch, Niklas;Sugiarto, Wisely Oki;Fruehschulz, Stefan;Lang, Maraike;Altintas, Rabia;Oehme, Ina;Meyer-Almes, Franz-Josef. And the article was included in European Journal of Medicinal Chemistry in 2019.Recommanded Product: 85118-24-7 This article mentions the following:

Here, the synthesis of 2,3-dihydroimidazo[1,2-c][1,3]benzothiazine-5-thiones I [R¹ = H, Me, Br, etc.; R² = H, Br, I, etc.; R³ = H, Me, Cl, etc.; R⁴ = H, Me, Cl, F; n = 0] and 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thiones I [n = 1] was described that demonstrated great selectivity for HDAC8 and chem. stability in the presence of GSH. The compounds were characterized with respect to structure-activity relationship, binding mode and target engagement in neuroblastoma cells by combining biochem. and biophys. methods with chemoinformatics. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Recommanded Product: 85118-24-7).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) 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.Recommanded Product: 85118-24-7

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary