Tag: 200-300

Three-Dimensional Heterocycles by Iron-Catalyzed Ring-Closing Sulfoxide Imidation was written by Yu, Hao;Li, Zhen;Bolm, Carsten. And the article was included in Angewandte Chemie, International Edition in 2018.Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde This article mentions the following:

A general and atom-economical method for the synthesis of cyclic sulfoximines by intramol. imidations of azido-containing sulfoxides using a com. available Fe^II phthalocyanine (Fe^IIPc) as catalyst was developed. The method conveys a broad functional group tolerance and the resulting three-dimensional heterocycles can be modified by cross-coupling reactions. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde).

2-Bromo-4-(trifluoromethyl)benzaldehyde (cas: 85118-24-7) 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闁艰京鐗梤omine 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.Name: 2-Bromo-4-(trifluoromethyl)benzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

QSPR modelling with the topological substructural molecular design approach: 閻?cyclodextrin complexation was written by Perez-Garrido, Alfonso;Helguera, Aliuska Morales;Cordeiro, M. Natalia D. S.;Escudero, Amalio Garrido. And the article was included in Journal of Pharmaceutical Sciences in 2009.Computed Properties of C8H7BrO2 This article mentions the following:

This study aims at developing a quant. structure-property relationship (QSPR) model for predicting complexation with 閻?cyclodextrins (閻?CD) based on a large variety of organic compounds Mol. descriptors were computed following the TOPol. Substructural Mol. DEsign (TOPS-MODE) approach and correlated with 閻?CD complex stability constants by linear multivariate data anal. This strategy afforded a final QSPR model that was able to explain around 86% of the variance in the exptl. activity, along with showing good internal cross-validation statistics, and also good predictivity on external data. Topol. substructural information influencing the complexation with 閻?CD was extracted from the QSPR model. This revealed that the major driving forces for complexation are hydrophobicity and van der Waals interactions. Therefore, the presence of hydrophobic groups (hydrocarbon chains, aryl groups, etc.) and voluminous species (Cl, Br, I, etc.) in the mols. renders easy their complexity with 閻?CDs. To our knowledge, this is the first time a correlation between TOPS-MODE descriptors and complexing abilities of 閻?CDs has been reported. 婵?2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 98:4557-4576, 2009. In the experiment, the researchers used many compounds, for example, 3-Bromophenyl acetate (cas: 35065-86-2Computed Properties of C8H7BrO2).

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. 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.Computed Properties of C8H7BrO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Structural Modifications to Tetrahydropyridine-3-carboxylate Esters en Route to the Discovery of M₅-Preferring Muscarinic Receptor Orthosteric Antagonists was written by Zheng, Guangrong;Smith, Andrew M.;Huang, Xiaoqin;Subramanian, Karunai L.;Siripurapu, Kiran B.;Deaciuc, Agripina;Zhan, Chang-Guo;Dwoskin, Linda P.. And the article was included in Journal of Medicinal Chemistry in 2013.Related Products of 14425-64-0 This article mentions the following:

The M₅ muscarinic acetylcholine receptor is suggested to be a potential pharmacotherapeutic target for the treatment of drug abuse. We describe herein the discovery of a series of M₅-preferring orthosteric antagonists based on the scaffold of 1,2,5,6-tetrahydropyridine-3-carboxylic acid. Compound 56, the most selective compound in this series, possesses an 11-fold selectivity for the M₅ over M₁ receptor and shows little activity at M₂-M₄. This compound, although exhibiting modest affinity (K_i = 2.24 婵炴挾鎷? for the [³H]N-methylscopolamine binding site on the M₅ receptor, is potent (IC₅₀ = 0.45 nM) in inhibiting oxotremorine-evoked [³H]DA release from rat striatal slices. Further, a homol. model of human M₅ receptor based on the crystal structure of the rat M₃ receptor was constructed, and docking studies of compounds 28 and 56 were performed in an attempt to understand the possible binding mode of these novel analogs to the receptor. 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. Bromine is more electronegative than carbon (2.9 vs 2.5). Consequently, the carbon in a carbon闂佺偨鍎茶ぐ绲﹐mine bond is electrophilic, i.e. alkyl bromides are alkylating agents. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Related Products of 14425-64-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Bromination of 4,4′,4”-trisubstituted triphenylamines. Torsional control of electrophilic aromatic substitution was written by Kelley, William S.;Monack, Louise;Rogge, Peter T.;Schwartz, Robert N.;Varimbi, Suzanne P.;Walter, Robert I.. And the article was included in Justus Liebigs Annalen der Chemie in 1971.Recommanded Product: 615-55-4 This article mentions the following:

Bromination of (p-BrC6H4)3N, (p-MeC6H4)3N (I), and (p-MeOC6H4)3N (II) gave products with only one ortho-Br atom in each ring as determined by comparison of the NMR spectra with those of the appropriate 4-substituted 2-bromo- or 3-bromoanilines. D exchange in I and II took place in all 6 ortho positions. These reactions are interpreted as a result of a stepwise electrophilic substitution which occurs only when the aromatic ring undergoing reaction is rotated close to the fully activated conformation, in which it is coplanar with the three C-N bonds. The other two rings must be rotated far out of the plane to permit the ring undergoing substitution to attain this conformation. After bromination in one ortho position, the bulky Br atom prevents a return to the fully activated position whereas the smaller H or Cl do not. In the experiment, the researchers used many compounds, for example, 3,4-Dibromoaniline (cas: 615-55-4Recommanded Product: 615-55-4).

3,4-Dibromoaniline (cas: 615-55-4) 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. 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.Recommanded Product: 615-55-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Selective synthesis of mono- and di-methylated amines using methanol and sodium azide as C1 and N1 sources was written by Chakrabarti, Kaushik;Mishra, Anju;Panja, Dibyajyoti;Paul, Bhaskar;Kundu, Sabuj. And the article was included in Green Chemistry in 2018.Safety of 2-Bromo-1,10-phenanthroline This article mentions the following:

A Ru(II) complex mediated synthesis of various N,N-di-Me and N-monomethyl amines from organic azides using methanol as a methylating agent was reported. This methodol. was successfully applied for a one-pot reaction of bromide derivatives and sodium azide in methanol. Notably, by controlling the reaction time several N-monomethylated and N,N-dimethylated amines were synthesized selectively. The practical applicability of this tandem process was revealed by preparative scale reactions with different organic azides and synthesis of an anti-vertigo drug betahistine. Several kinetic experiments and DFT studies were carried out to understand the mechanism of this transformation. In the experiment, the researchers used many compounds, for example, 2-Bromo-1,10-phenanthroline (cas: 22426-14-8Safety of 2-Bromo-1,10-phenanthroline).

2-Bromo-1,10-phenanthroline (cas: 22426-14-8) 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闁艰京鐗梤omine bond is electrophilic in nature. 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.Safety of 2-Bromo-1,10-phenanthroline

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chemoselectivity in the Kosugi-Migita-Stille coupling of bromophenyl triflates and bromo-nitrophenyl triflates with (ethenyl)tributyltin was written by Ansari, Nurul N.;Cummings, Matthew M.;Soderberg, Bjorn C. G.. And the article was included in Tetrahedron in 2018.Reference of 76361-99-4 This article mentions the following:

Kosugi-Migita-Stille cross coupling reactions of (ethenyl)tributyltin with all isomeric permutations of bromophenyl triflate and bromo-nitrophenyl triflate were examined in order to determine the chemoselectivity of carbon-bromine vs. carbon-triflate bond coupling under different reaction conditions. In general, highly selective carbon-bromine bond cross couplings were observed for example bis(triphenylphosphine)palladium dichloride (2 mol %) in 1,4-dioxane at reflux. In contrast, reactions using the same pre-catalyst but in the presence of a three-fold excess of lithium chloride in N,N-dimethylformamide at ambient temperature were in most cases selective for coupling at the carbon-triflate bond. Overall, isolated yields and the selectivity for carbon-bromine bond coupling were significantly higher compared to carbon-triflate bond coupling. In the experiment, the researchers used many compounds, for example, 3-Bromo-2-nitrophenol (cas: 76361-99-4Reference of 76361-99-4).

3-Bromo-2-nitrophenol (cas: 76361-99-4) 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. 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.Reference of 76361-99-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Regio- and Stereoselective Alkylboration of Endocyclic Olefins Enabled by Nickel Catalysis was written by Ding, Chao;Ren, Yaoyu;Sun, Caocao;Long, Jiao;Yin, Guoyin. And the article was included in Journal of the American Chemical Society in 2021.Related Products of 57293-19-3 This article mentions the following:

Whereas there is a significant interest in the rapid construction of diversely substituted saturated heterocycles, direct and modular access is currently limited to the mono-, 2,3-, or 3,4-substitution pattern. This Communication describes the straightforward and modular construction of 2,4-substituted saturated heterocycles from readily available materials in a highly stereo- and regioselective manner, which sets the stage for numerous readily accessible drug motifs. The strategy relies on chain walking catalysis. In the experiment, the researchers used many compounds, for example, 1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3Related Products of 57293-19-3).

1-(3-Bromopropyl)-4-methoxybenzene (cas: 57293-19-3) 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.Related Products of 57293-19-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Potent and Highly Selective Inhibitor of Human 濞?1,3-Fucosyltransferase via Click Chemistry was written by Lee, Lac V.;Mitchell, Michael L.;Huang, Shih-Jung;Fokin, Valery V.;Sharpless, K. Barry;Wong, Chi-Huey. And the article was included in Journal of the American Chemical Society in 2003.Name: N-(5-Bromopentyl)phthalimide This article mentions the following:

Potent inhibitors of fucosyltransferases, and glycosyltransferases in general, have been elusive due to the inherent barriers surrounding the family of glycosyl transfer reactions. The problems of weak substrate affinity and low catalytic proficiency of fucosyltransferase was offset by recruiting addnl. binding features, in this case hydrophobic interactions, to produce a high affinity inhibitor, 24, with K_i = 62 nM. The mol. was identified from a GDP-triazole library of 85 compounds, which was produced by the Cu(I)-catalyzed [2+3] cycloaddition reaction between azide and acetylene reactants, followed by in situ screening without product isolation. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Name: N-(5-Bromopentyl)phthalimide).

N-(5-Bromopentyl)phthalimide (cas: 954-81-4) 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.Name: N-(5-Bromopentyl)phthalimide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Design, synthesis, and in vitro evaluation of an activity-based protein profiling (ABPP) probe targeting agmatine deiminases was written by Thomson, Andrew;O’Connor, Sean;Knuckley, Bryan;Causey, Corey P.. And the article was included in Bioorganic & Medicinal Chemistry in 2014.Related Products of 954-81-4 This article mentions the following:

Agmatine deiminases (AgDs) belong to a family of enzymes known as guanidinium group modifying enzymes (GMEs). Many pathogenic bacteria encode an AgD that participates in the catabolism of agmatine (decarboxylated arginine). This catabolism may confer a competitive survival advantage, by virtue of energy production and increased acid tolerance, making this sub-family of enzymes a potential therapeutic target that warrants further study. Herein we report the development of an activity-based protein profiling (ABPP) probe that selectively targets the AgD from Streptococcus mutans. Due to the selectivity and covalent nature of the modification, this probe could prove to be a valuable tool for the study of other AgD family members. 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. 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闁艰京鐗梤omine 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.Related Products of 954-81-4

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Double C(sp³)-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles was written by Mori, Keiji;Kurihara, Kazuki;Yabe, Shinnosuke;Yamanaka, Masahiro;Akiyama, Takahiko. And the article was included in Journal of the American Chemical Society in 2014.Reference of 61150-57-0 This article mentions the following:

Described herein are two novel types of double C(sp³)-H bond functionalizations triggered by a sequential hydride shift/cyclization process: (1) construction of a bicyclo[3.2.2]nonane skeleton, e.g., I, by a [1,6]- and [1,5]-hydride shift sequence and (2) sequential [1,4]- and [1,5]-hydride shift mediated construction of a linear tricyclic skeleton, e.g., II. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0Reference of 61150-57-0).

2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0) 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). 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.Reference of 61150-57-0

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary