Month: January 2023

Synthesis and in vitro affinities of various MDL 100907 derivatives as potential ¹⁸F-radioligands for 5-HT_2A receptor imaging with PET was written by Herth, Matthias M.;Kramer, Vasko;Piel, Markus;Palner, Mikael;Riss, Patrick J.;Knudsen, Gitte M.;Roesch, Frank. And the article was included in Bioorganic & Medicinal Chemistry in 2009.Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene This article mentions the following:

Radiolabeled piperidine derivatives such as [¹¹C]MDL 100907 and [¹⁸F]altanserin have played an important role in diagnosing malfunction in the serotonergic neurotransmission. A variety of novel piperidine MDL 100907 derivatives, possible to label with ¹⁸F-fluorine, were synthesized to improve mol. imaging properties of [¹¹C]MDL 100907. Their in vitro affinities to a broad spectrum of neuroreceptors and their lipophilicities were determined and compared to the clin. used reference compounds MDL 100907 and altanserin. The novel compounds MA-1 (53) and (R)-MH.MZ (56) show K _i-values in the nanomolar range towards the 5-HT_2A receptor and insignificant binding to other 5-HT receptor subtypes or receptors. Interestingly, compounds MA-1 (53), MH.MZ (55) and (R)-MH.MZ (56) provide a receptor selectivity profile similar to MDL 100907. These compounds could possibly be preferable antagonistic ¹⁸F-tracers for visualization of the 5-HT_2A receptor status. Medium affine compounds (VK-1 (32), (51), (52), (54)) were synthesized and have K _i values between 30 and 120 nM. All promising compounds show log P values between 2 and 3, i.e., within the range of those for the established radiotracers altanserin and MDL 100907. The novel compounds MA-1 (53) and (R)-MH.MZ (56) thus appear to be promising high affine and selective tracers of ¹⁸F-labeled analogs for 5-HT_2A imaging with PET. 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. 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.Recommanded Product: 1-(2-Bromoethyl)-4-methoxybenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Highly efficient direct visible-light-mediated oxidative esterification of aldehydes was written by Lindroth, Rickard;Bryce-Rogers, Hogan P.;Merke, Thomas P. M.;Wallentin, Carl-Johan. And the article was included in Photochemical & Photobiological Sciences in 2022.Application In Synthesis of 1-Bromopyrrolidine-2,5-dione This article mentions the following:

A very efficient one-pot procedure for the direct oxidation of aldehydes to esters RC(O)OR¹ [R = Ph, cyclohexyl, 4-MeOC₆H₄, etc.; R¹ = Me, Et, t-Bu, etc.] mediated by visible-light was presented. Utilizing a combination of indium triflate and N-bromosuccinimide, NBS, with either ortho-esters or alcs. provided rapid access to a variety of esters RC(O)OR¹. Certain substrates convert fully within a few seconds, other more challenging tert-Bu esters RC(O)OR¹ [R = 4-PhC₆H₄; R¹ = t-Bu] were formed in good yield after no more than 4 h. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Application In Synthesis of 1-Bromopyrrolidine-2,5-dione).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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.Application In Synthesis of 1-Bromopyrrolidine-2,5-dione

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Receptor agonists of macrophage migration inhibitory factor was written by Jorgensen, William L.;Gandavadi, Sunilkumar;Du, Xin;Hare, Alissa A.;Trofimov, Alexander;Leng, Lin;Bucala, Richard. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2010.Category: bromides-buliding-blocks This article mentions the following:

The cytokine MIF is involved in inflammation and cell proliferation via pathways initiated by its binding to the transmembrane receptor CD74. MIF also promotes AMPK activation with potential benefits for response to myocardial infarction and ischemia-reperfusion. Structure-based mol. design has led to the discovery of not only antagonists, but also the first agonists of MIF-CD74 binding. The compounds contain a triazole core that is readily assembled via Cu-catalyzed click chem. The agonist and antagonist behaviors were confirmed via study of MIF-dependent ERK1/2 phosphorylation in human fibroblasts. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Category: bromides-buliding-blocks).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) 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–bromine 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

2(E), 4(Z)-Alkadienoates using the Wittig reaction was written by Baumann, Manfred;Hoffmann, Werner. And the article was included in Synthesis in 1977.Quality Control of Isopentyltriphenylphosphonium bromide This article mentions the following:

2(E),4(Z)-RCH:CHCH:CHCO₂Et (R = Et, Pr, Me₂CHCH₂, pentyl, hexyl, heptyl) with fruit-like odors were prepared in 57-73% yields by treating (E)-OHCCH:CHCO₂Et with RCH₂P⁺Ph₃Br^– in the presence of NaNH₂. In the experiment, the researchers used many compounds, for example, Isopentyltriphenylphosphonium bromide (cas: 28322-40-9Quality Control of Isopentyltriphenylphosphonium bromide).

Isopentyltriphenylphosphonium bromide (cas: 28322-40-9) 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). 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.Quality Control of Isopentyltriphenylphosphonium bromide

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Formation of macrocyclic lactones in microemulsions was written by Gonzalez, Alvaro;Holt, Smith L.. And the article was included in Journal of Organic Chemistry in 1981.Quality Control of 15-Bromopentadecanoic acid This article mentions the following:

Macrocyclic lactones were prepared by using the reactants in detergentless microemulsions. A microemulsion of H₂O, Me₂CHOH, and PhMe was made 8 × 10^-3M in 4-MeC₆H₄SO₃H and treated with an identical microemulsion 1 × 10^-2M in Me(CH₂)₅CH(OH)(CH₂)₁₀CO₂H, HO(CH₂)₁₄CO₂H, or HO(CH₂)₁₅CO₂H over 2 h and the mixture heated at 65° 12 h to give 18-23% lactones I (R = benzyl, n = 10; R = H, n = 14, 15), 35-40% the iso-Pr esters, and 20% polymers. The above microemulsion was made 3 × 10^-3M in Br(CH₂)_mCO₂H (m = 10, 14) and an equivalent KOH added to form the K salt. This solution was heated at 65° 1 day to give 25 and 22% I (R = H, n = 9, 13) and 18 and 15% polymers. In the experiment, the researchers used many compounds, for example, 15-Bromopentadecanoic acid (cas: 56523-59-2Quality Control of 15-Bromopentadecanoic acid).

15-Bromopentadecanoic acid (cas: 56523-59-2) 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. 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.Quality Control of 15-Bromopentadecanoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Organocatalytic Enantioselective Construction of Spiroketal Lactones Bearing Axial and Central Chirality via an Asymmetric Domino Reaction was written by Xu, Shiyu;Huang, Aima;Yang, Yang;Wang, Ying;Zhang, Ming;Sun, Zhihui;Zhao, Man;Wei, Yuanlin;Li, Guofeng;Hong, Liang. And the article was included in Organic Letters in 2022.Computed Properties of C4H4BrNO2 This article mentions the following:

The catalytic asym. synthesis of chiral compounds such as I [R = H, 7-Me, Ph, etc.; X = I, Br] with multiple stereogenic elements via a single catalytic process was challenging. This paper proposed a domino asym. electrophilic halocyclization strategy for constructing heterocycloalkenyl atropisomeric spiroketal lactones. A single catalyst was utilized to realize two independent stereodetermining steps. Various spiroketal lactones containing both chiral axes and chiral centers were prepared in excellent yields with excellent enantioselectivity and diastereoselective (up to 99% ee and >20:1 dr). In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Computed Properties of C4H4BrNO2).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Computed Properties of C4H4BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A virtual screening approach to identifying the greenest compound for a task: application to switchable-hydrophilicity solvents was written by Vanderveen, J. R.;Patiny, L.;Chalifoux, C. B.;Jessop, M. J.;Jessop, P. G.. And the article was included in Green Chemistry in 2015.SDS of cas: 4457-67-4 This article mentions the following:

A virtual or in-silico screening approach makes it much easier to identify mol. structures which best combine efficacy for a specific task with safety and min. environmental or health impacts. In this approach, software generates a larger number of possible mol. structures, then quant. structure-activity relationships (QSAR) predict properties related to performance, safety, and health and environmental impact. Structures are then scored on criteria (e.g., flash point, toxicity) and given an overall score. The method identifies compounds with high scores for 3 performance criteria and 7 health, safety, and environmental criteria. This method allows for larger-scale, faster screening than can be performed using human intellect and a bench-top approach. Its success was demonstrated by using it to identify new, possibly more green switchable-hydrophilic solvents (SHS). Three SHS were identified using this method. The mol. design approach is entirely modular and can be applied to design nearly any type of chem.; however, method limitations are that it does not consider chem. production health and environmental costs. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4SDS of cas: 4457-67-4).

1-Bromo-4-methoxybutane (cas: 4457-67-4) 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.SDS of cas: 4457-67-4

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.Category: bromides-buliding-blocks 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-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Category: bromides-buliding-blocks).

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. 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.Category: bromides-buliding-blocks

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

New donor-acceptor benzotrithiophene-containing conjugated polymers for solar cells was written by Keshtov, M. L.;Kuklin, S. A.;Kochurov, V. S.;Konstantinov, I. O.;Krayushkin, M. M.;Radychev, N. A.;Khokhlov, A. R.. And the article was included in Doklady Chemistry in 2014.Recommanded Product: 5-Bromothiophene-3-carbaldehyde This article mentions the following:

This paper new donor-acceptor benzotrithiophene-containing conjugated polymers for solar cells. The large BTT structure is planar and leads to an effective intermol. package in the solid state. In this work, we have designed a new BTT containing monomer as a promising ‘building block’ and used it in synthesis of four new BTT containing narrow gap donor-acceptor conjugated polymers as an electroactive material for solar cells. In the experiment, the researchers used many compounds, for example, 5-Bromothiophene-3-carbaldehyde (cas: 18791-79-2Recommanded Product: 5-Bromothiophene-3-carbaldehyde).

5-Bromothiophene-3-carbaldehyde (cas: 18791-79-2) 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. Commercially available organobromine pharmaceuticals include the vasodilator nicergoline, the sedative brotizolam, the anticancer agent pipobroman, and the antiseptic merbromin. Recommanded Product: 5-Bromothiophene-3-carbaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of UK-78282 was written by Liang, Xizhou;Da, Shijun;Li, Ying. And the article was included in Zhongguo Yiyao Gongye Zazhi in 2005.Related Products of 57293-19-3 This article mentions the following:

UK-78282 [i.e., 4-[(diphenylmethoxy)methyl]-1-[3-(4-methoxyphenyl)propyl]piperidine] a novel potassium channel blocker (no data), was synthesized from 4-methoxycinnamic acid by reduction and bromination to give 3-(4-methoxyphenyl)-1-bromopropane, which subjected to condensation with Et piperidine-4-carboxylate followed by reduction and etherification by diphenylmethanol. The overall yield was 58%. 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. 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.Related Products of 57293-19-3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary