Month: December 2022

Novel phthalide derivatives: synthesis and anti-inflammatory activity in vitro and in vivo was written by Chen, Liu Zeng;Wu, Jing;Li, Kang;Wu, Qian Qian;Chen, Rui;Liu, Xin Hua;Ruan, Ban Feng. And the article was included in European Journal of Medicinal Chemistry in 2020.COA of Formula: C5H11BrO This article mentions the following:

A three series (total of 31) novel phthalide derivatives I (R¹ = Me, Ph, PhCH₂, 4-PhC₆H₄, 4-PhOC₆H₄), II (R² = H, Et, MeOCH₂CH₂, 4-BrC₆H₄CH₂, etc.) and III (R³ = Me, PhCH₂, 4-FC₆H₄CH₂) were designed and synthesized, and their anti-inflammatory activities were screened in-vitro and in-vivo. The anti-inflammatory activity of all the compounds I, II and III were screened on LPS induced NO production to evaluating their inhibitory effects. Structure-activity relationship was studied, and finally compound II [R² = 4-FC₆H₄CH₂; (IV)] was found to be the active one with low toxicity, which showed 95.23% inhibitory rate at 10μM with IC₅₀ value of 0.76μM against LPS-induced NO over expression. Preliminary mechanism studies indicated that compound IV activated Nrf2/HO-1 signaling pathway via accumulation ROS and blocks the NF-κB/MAPK signaling pathway. The in-vivo anti-inflammatory activity shown that compound IV had obvious therapeutic effect against the adjuvant-induced rat arthritis model. In the experiment, the researchers used many compounds, for example, 1-Bromo-4-methoxybutane (cas: 4457-67-4COA of Formula: C5H11BrO).

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). 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.COA of Formula: C5H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Hydantoin-Based Molecular Photoswitches was written by Martinez-Lopez, David;Yu, Meng-Long;Garcia-Iriepa, Cristina;Campos, Pedro J.;Frutos, Luis Manuel;Golen, James A.;Rasapalli, Sivappa;Sampedro, Diego. And the article was included in Journal of Organic Chemistry in 2015.Safety of 3,5-Dibromo-4-methoxybenzaldehyde This article mentions the following:

A new family of mol. photoswitches based on arylidenehydantoins is described together with their synthesis and photochem. and photophys. studies. A series of hydantoin derivatives have been prepared as single isomers using simple and versatile chem. in good yields. Our studies show that the photostationary states of these compounds can be easily controlled by means of external factors, such as the light source or filters. Moreover, the detailed investigations proved that these switches are efficient (i.e., they make efficient use of the light energy, are high fatigue resistant, and are very photostable). In some cases, the switches can be completely turned on/off, a desirable feature for specific applications. A series of theor. calculations have also been carried out to understand the photoisomerization mechanism at the mol. level. In the experiment, the researchers used many compounds, for example, 3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1Safety of 3,5-Dibromo-4-methoxybenzaldehyde).

3,5-Dibromo-4-methoxybenzaldehyde (cas: 108940-96-1) 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. Safety of 3,5-Dibromo-4-methoxybenzaldehyde

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A convenient and regioselective oxidative bromination of electron-rich aromatic rings using potassium bromide and benzyltriphenylphosphonium peroxymonosulfate under nearly neutral reaction conditions was written by Adibi, Hadi;Hajipour, Abdol R.;Hashemi, Majid. And the article was included in Tetrahedron Letters in 2007.Safety of 4-Bromo-2-chloro-6-nitrophenol This article mentions the following:

Regioselective oxidative bromination of electron-rich aromatic rings was studied using potassium bromide as a bromine source in the presence of benzyltriphenylphosphonium peroxymonosulfate as oxidant under nearly neutral reaction conditions. In most cases we obtained monobrominated derivatives regioselectively and in good to high yields without the aid of strong acids. In the experiment, the researchers used many compounds, for example, 4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2Safety of 4-Bromo-2-chloro-6-nitrophenol).

4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2) 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. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.Safety of 4-Bromo-2-chloro-6-nitrophenol

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Polaron Delocalization Dependence of the Conductivity and the Seebeck Coefficient in Doped Conjugated Polymers was written by DexterTam, Teck Lip;Moudgil, Akshay;Teh, Wei Jie;Wong, Zicong Marvin;Handoko, Albertus Denny;Chien, Sheau Wei;Yang, Shuo-Wang;Yeo, Boon Siang;Leong, Wei Lin;Xu, Jianwei. And the article was included in Journal of Physical Chemistry B in 2022.Recommanded Product: 128-08-5 This article mentions the following:

Conjugated polymers are promising materials for thermoelecs. as they offer good performances at near ambient temperatures The current focus on polymer thermoelec. research mainly targets a higher power factor (PF; a product of the conductivity and square of the Seebeck coefficient) through improving the charge mobility. This is usually accomplished via structural modification in conjugated polymers using different processing techniques and doping. As a result, the structure-charge transport relationship in conjugated polymers is generally well-established. In contrast, the relationship between the structure and the Seebeck coefficient is poorly understood due to its complex nature. A theor. framework by David Emin (Phys. Rev. B, 1999,59, 6205-6210) suggests that the Seebeck coefficient can be enhanced via carrier-induced vibrational softening, whose magnitude is governed by the size of the polaron. In this work, we seek to unravel this relationship in conjugated polymers using a series of highly identical pro-quinoid polymers. These polymers are ideal to test Emin′s framework exptl. as the quinoid character and polaron delocalization in these polymers can be well controlled even by small at. differences (<10 at. % per repeating unit). By increasing the polaron delocalization, i.e., the polaron size, we demonstrate that both the conductivity and the Seebeck coefficient (and hence PF) can be increased simultaneously, and the latter is due to the increase in the polaron′s vibrational entropy. By using literature data, we also show that this phenomenon can be observed in two closely related diketopyrrolopyrrole-conjugated polymers as well as in p-doped P3HT and PANI systems with an increasing mol. order. In the experiment, the researchers used many compounds, for example, 1-Bromopyrrolidine-2,5-dione (cas: 128-08-5Recommanded Product: 128-08-5).

1-Bromopyrrolidine-2,5-dione (cas: 128-08-5) 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.Recommanded Product: 128-08-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Selective debenzylation of benzyl esters by silica-supported sodium hydrogen sulphate was written by Hu, Yan Wei;Zuo, Li;Ye, De Yong;Duan, Wen Hu. And the article was included in Chinese Chemical Letters in 2009.Application In Synthesis of 3-(Bromomethyl)benzoic acid This article mentions the following:

A new debenzylation of benzyl esters by silica-supported sodium hydrogen sulfate was described. The debenzylation could be achieved selectively and efficiently in good to excellent yields without affecting sensitive functional groups such as nitro, unsaturated bonds, and Et ester. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Application In Synthesis of 3-(Bromomethyl)benzoic acid).

3-(Bromomethyl)benzoic acid (cas: 6515-58-8) 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. 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.Application In Synthesis of 3-(Bromomethyl)benzoic acid

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Derivatives of Hexamethylene Glycol, HO.(CH₂)₆OH; Heptamethylene Glycol was written by Dionneau, R.. And the article was included in Compt. rend. in 1907.Related Products of 50592-87-5 This article mentions the following:

The bromethers of hexamethylene glycol, RO(CH₂)₃Br, are not formed in a smooth manner by treatment of the diethers of hexamethylene glycol. RO(CH₂)₅OR (Ibid., 142, 91) with HBr. 1,6-Dibromhexane reacts smoothly with the calculated amount of sodium methylate giving the bromether CH₃O(CH₂)₆Br, yield 70% of theoretical, b₃₃ 112°; D₂₇, 1.194. The magnesium compound, CH₃O(CH₃)₆Br.Mg, and bromethyl ether, BrCH₂OCH₂ react giving the dimethyl ether of heptamethylene glycol, CH₂O(CH₂)₇OCH₃. Treatment of this diether with HBr gives 1,7-dibromheptane Br(CH₂)₇Br; b₃₃ 156°. 1,7-Diphenoxyheptane, C₆H₃O(CH₂)₇OC₆H₂; m. 53°. Acetate of Heptamethylene Glycol, CH₃CO₂(CH₂)₇CO₂CH₃; b. 270°; D₁₅, 1.01. Heptamethylene Glycol, HO(CH₂)₇OH, b₂₅ 172°, b. 259°, m. 19°; very soluble in water and alcohol, difficultly soluble in ether. In the experiment, the researchers used many compounds, for example, 1-Bromo-6-methoxyhexane (cas: 50592-87-5Related Products of 50592-87-5).

1-Bromo-6-methoxyhexane (cas: 50592-87-5) 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 principal reactions for organobromides include dehydrobromination, Grignard reactions, reductive coupling, and nucleophilic substitution.Related Products of 50592-87-5

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Polymer-anchored peroxo compounds of molybdenum and tungsten as efficient and versatile catalysts for mild oxidative bromination was written by Boruah, Jeena Jyoti;Das, Siva Prasad;Borah, Rupam;Gogoi, Sandhya Rani;Islam, Nashreen S.. And the article was included in Polyhedron in 2013.COA of Formula: C6H6BrNO This article mentions the following:

A polymer supported peroxomolybdate(VI) compound [MoO₂(O₂)(CN)₂]-PAN [PAN = poly(acrylonitrile)] (PANMo) was obtained by reacting H₂MoO₄ with 30% H₂O₂ and the macromol. ligand, PAN at near neutral pH. The macrocomplex was characterized by elemental anal. (CHN and EDX anal.), spectral (IR, UV-visible and ¹³C NMR, ⁹⁵Mo NMR), thermal (TGA-DTG) as well as SEM studies. The catalytic activity of PANMo and its previously reported tungsten containing analog PANW, in oxidative bromination of organic substrates was explored. The supported complexes could serve as efficient heterogeneous catalysts for the oxidative bromination of a variety of structurally diverse aromatic compounds, with H₂O₂ as terminal oxidant, to afford bromo organics in impressive yields under environmentally clean conditions. The catalysts afforded regeneration and could be reused for a min. of six reaction cycles. In the experiment, the researchers used many compounds, for example, 4-Amino-3-bromophenol (cas: 74440-80-5COA of Formula: C6H6BrNO).

4-Amino-3-bromophenol (cas: 74440-80-5) 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. 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.COA of Formula: C6H6BrNO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Targeting Serotonin 2A and Adrenergic α₁ Receptors for Ocular Antihypertensive Agents: Discovery of 3,4-Dihydropyrazino[1,2-b]indazol-1(2H)-one Derivatives was written by Furlotti, Guido;Alisi, Maria Alessandra;Cazzolla, Nicola;Ceccacci, Francesca;Garrone, Beatrice;Gasperi, Tecla;La Bella, Angela;Leonelli, Francesca;Loreto, Maria Antonietta;Magaro, Gabriele;Mangano, Giorgina;Bettolo, Rinaldo Marini;Masini, Emanuela;Miceli, Martina;Migneco, Luisa Maria;Vitiello, Marco. And the article was included in ChemMedChem in 2018.Computed Properties of C9H11BrO This article mentions the following:

Glaucoma affects millions of people worldwide and causes optic nerve damage and blindness. The elevation of the intraocular pressure (IOP) is the main risk factor associated with this pathol., and decreasing IOP is the key therapeutic target of current pharmacol. treatments. As potential ocular hypotensive agents, the authors studied compounds that act on two receptors (serotonin 2A and adrenergic α₁) linked to the regulation of aqueous humor dynamics. Herein, the design, synthesis, and pharmacol. profiling of a series of novel bicyclic and tricyclic N2-alkyl-indazole-amide derivatives is described. This study identified a 3,4-dihydropyrazino[1,2-b]indazol-1(2H)-one derivative I with potent serotonin 2A receptor antagonism, >100-fold selectivity over other serotonin subtype receptors, and high affinity for the α₁ receptor. Moreover, upon local administration, this compound showed superior ocular hypotensive action in vivo relative to the clin. used reference compound timolol. In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Computed Properties of C9H11BrO).

1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0) 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.Computed Properties of C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Structure-Based Design of Highly Selective Inhibitors of the CREB Binding Protein Bromodomain was written by Denny, R. Aldrin;Flick, Andrew C.;Coe, Jotham;Langille, Jonathan;Basak, Arindrajit;Liu, Shenping;Stock, Ingrid;Sahasrabudhe, Parag;Bonin, Paul;Hay, Duncan A.;Brennan, Paul E.;Pletcher, Mathew;Jones, Lyn H.;Chekler, Eugene L. Piatnitski. And the article was included in Journal of Medicinal Chemistry in 2017.Quality Control of 1-(2-Bromoethyl)-4-methoxybenzene This article mentions the following:

Chem. probes are required for preclin. target validation to interrogate novel biol. targets and pathways. Selective inhibitors of the CREB binding protein (CREBBP)/EP300 bromodomains are required to facilitate the elucidation of biol. associated with these important epigenetic targets. Medicinal chem. optimization that paid particular attention to physiochem. properties delivered chem. probes with desirable potency, selectivity, and permeability attributes. An important feature of the optimization process was the successful application of rational structure-based drug design to address bromodomain selectivity issues (particularly against the structurally related BRD4 protein). In the experiment, the researchers used many compounds, for example, 1-(2-Bromoethyl)-4-methoxybenzene (cas: 14425-64-0Quality Control of 1-(2-Bromoethyl)-4-methoxybenzene).

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. 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-(2-Bromoethyl)-4-methoxybenzene

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Synthesis of [1.1.1]propellanes by bridging of bicyclo[1.1.0]butanes was written by Werner, Markus;Stephenson, David S.;Szeimies, Guenter. And the article was included in Liebigs Annalen in 1996.SDS of cas: 28322-40-9 This article mentions the following:

Various [1.1.1]propellanes I [R = H, R¹ = alkyl or aryl; R, R¹ = Me, Et; RR¹ = (CH₂)₃, (CH₂)₄] were prepared by bridging the 1,3 positions of the corresponding bicyclo[1.1.0]butane. The synthesis of 1-bromo-3-(chloromethy)bicyclobutanes and the bridging were carried out in a 1-pot reaction by addition of 2 equivalent of MeLi to appropriate 1,1-dibromobis-2,2-(dichloromethyl)cyclopropanes II. Three routes to the cyclopropanes were investigated. The Wittig reaction of 1,3-dichlorocycloacetone leading to RR¹CC(CH₂Cl)₂, was with exception of RR¹CC(CH₂Cl)₂ [RR¹ = (CH₂)₃] successful only with Wittig reagents derived from primary alkyl halides. Reduction of alkylidenemalonates with LiAlH₄ in benzene afforded carbinols of type RR¹CC(CH₂OH)₂ which were converted into chlorides by reaction with N-chlorosuccinimide/Me₂S. The cyclopropanation of RR¹CC(CH₂Cl)₂ to cyclopropanes II was achieved by reaction with CHBr₃/NaOH under phase transfer catalysis conditions. Starting from alkylidenemalonates, the sequence of reduction and cyclopropanatioon was interchanged. Propellanes I (R = H; R¹ = Pr, CH₂CHMePr) were reduced with LiAlH₄ to give the corresponding bicyclo[1.1.1]pentanes. Very small coupling constants J(¹³C-¹³C) between the bridgehead positions (i.e. 0.47 and 0.53 Hz) were obtained by 2D inadequate NMR of I (R = H; R¹ = CH₂CHMeEt, CHMeEt). In the experiment, the researchers used many compounds, for example, Isopentyltriphenylphosphonium bromide (cas: 28322-40-9SDS of cas: 28322-40-9).

Isopentyltriphenylphosphonium bromide (cas: 28322-40-9) 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. 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: 28322-40-9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary