Tag: 200-300

Aromatic sulfonyl fluorides. III was written by Steinkopf, Wilhelm;Hubner, Rolf. And the article was included in Journal fuer Praktische Chemie (Leipzig) in 1934.COA of Formula: C6H4BrFO2S This article mentions the following:

An 86% yield of p-EtC₆H₄SO₂F (I), b. 238-9°, b₁₄ 124.5°, is obtained from 50 g. EtPh and 200 g. FSO₃H, together with a small amount of (p-EtC₆H₄)₂SO₂, m. 98°, but no trace of a disulfonyl fluoride. The nitration of I gives 4,3-Et(O₂N)C₆H₃SO₂F, b₁₅ 179°. Adding 25 g. MeI and 5 g. Mg in 200 cc. of ether to 16 g. of I in 100 cc. of ether gives 7.3 g. of (p-EtC₆H₄SO₂)₂CH₂, m. 131°, soluble in alc., ether and hot KOH, not soluble in H₂O. Adding 16 g. BrPh and 2.8 g. Mg in 150 cc. ether to 10 g. of I in 150 cc. ether gives 4.2 g. of p-EtC₆H₄SO₂Ph, m. 91.5-2.0°. Adding 25 g. MeI and 5 g. Mg in 100 cc. of ether to 10.5 g. of 2,4-Me₂C₆H₃SO₂F (II) gives 7.75 g. of (2,4-Me₂-C₆H₃SO₂)₂CH₂, m. 155.5-6.0°. Adding 20 g. BrPh and 6 g. Mg in 300 cc. ether to 13 g. of II gives 5.7 g. of 2,4-Me₂C₆H₃SO₂Ph, m. 87°. Adding 15 g. of 1,3-dimethyl-2,4-benzenedisulfonyl fluoride (III) to 25 g. MeI and 5.4 g. Mg in 150 cc. ether gives a mixture of C₁₇H₁₈O₆F₂S₄, m. 135°, C₁₇H₁₈O₆F₂S₄, m. 272°, and 1,3,2,4-Me₂ (MeO₂S)₂-C₆H₂, m. 187°. Adding 16 g. BrPh and 2.6 g. Mg in 100 cc, ether to 12 g. of III in 250 cc. ether gives 7 g. of 1,3,2,4-Me₂(PhO₂S)₂C₆H₂, m. 232-3°. Adding 14.3 g. of 1,5-dichloropentane and 5 g. Mg in ether slowly to 42 g. of II in ether gives 11 g. of 2,4-Me₂C₆H₃SO₂(CH₂)₅-O₂SC₆H₃Me₂-2,4, m. 98°. A Sandmeyer reaction gives (from the amino derivative) 60% of m-ClC₆H₄SO₂F, b₂₂ 90°, or m-BrC₆H₄SO₂F, b₂₃ 122°, the nitration of which gives 3,4-Cl(O₂N)C₆H₃SO₂F, m. 85° (81% yield), or 3,4-Br-(O₂N)C₆H₃SO₂F, m. 104° (84% yield), resp. The compounds described are new. In the experiment, the researchers used many compounds, for example, 3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9COA of Formula: C6H4BrFO2S).

3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9) 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.COA of Formula: C6H4BrFO2S

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

In vitro and in vivo comparative study of a novel ⁶⁸Ga-labeled PSMA-targeted inhibitor and ⁶⁸Ga-PSMA-11 was written by Chen, Huanyu;Cai, Ping;Feng, Yue;Sun, Zhanliang;Wang, Yinwen;Chen, Yue;Zhang, Wei;Liu, Nan;Zhou, Zhijun. And the article was included in Scientific Reports in 2021.Electric Literature of C13H14BrNO2 This article mentions the following:

⁶⁸Ga-radiolabeled small mols. that specifically target prostate-specific membrane antigen (PSMA) have been extensively investigated, and some of these tracers have been used in the diagnosis of prostate cancer via 68Ga-positron emission tomog. (⁶⁸Ga-PET). Nevertheless, current ⁶⁸Ga-labeled radiotracers show only fair detection rates for metastatic prostate cancer lesions, especially those with lower levels of prostate specific antigen (PSA), which often occurs in the biochem. recurrence of prostate cancer. The goal of this study was to design and synthesize a new PSMA-targeted radiotracer, ⁶⁸Ga-SC691, with high affinity for prostate cancer cells and excellent pharmacokinetics. To this end, structural optimization was carried out on the bifunctional group, target motif, and linker while the high affinity targeting scaffold remained. To explore its potential in the clinic, a comparative study was further performed in vitro and in vivo between ⁶⁸Ga-SC691 and ⁶⁸Ga-PSMA-11, a clin. approved tracer for PSMA-pos. prostate cancer. SC691 was radiolabeled to provide ⁶⁸Ga-SC691 in 99% radiolabeling yield under mild conditions. High uptake and a high internalization ratio into LNCaP cells were observed in in vitro studies. In vivo studies showed that ⁶⁸Ga-SC691 had favorable biodistribution properties and could specifically accumulate on PSMA-pos. LNCaP xenografts visualized by micro-PET/CT. This radiotracer showed excellent PET imaging quality and comparable, if not higher, uptake in LNCaP xenografts than ⁶⁸Ga-PSMA-11. In the experiment, the researchers used many compounds, for example, N-(5-Bromopentyl)phthalimide (cas: 954-81-4Electric Literature of C13H14BrNO2).

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). 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.Electric Literature of C13H14BrNO2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Structural effect of phenylcarbazole-based molecules on the exciplex-forming co-host system to achieve highly efficient phosphorescent OLEDs with low efficiency roll-off was written by Lee, Chih-Chien;Amin, Nurul Ridho Al;Xu, Jing-Jie;Wang, Bo-Cheng;Luo, Dian;Sutanto, Kevin;Biring, Sajal;Liu, Shun-Wei;Chen, Chih-Hsin. And the article was included in Journal of Materials Chemistry C: Materials for Optical and Electronic Devices in 2021.Recommanded Product: 100189-84-2 This article mentions the following:

In this work, five phenylcarbazole-based mols. (PhCzs), i.e., PhCzp-Me, PhCzm-Me, PhCNCzp-Me, PhCNCzp-MeCzPh, and PhCNCzm-MeCzPh, were synthesized by linking two phenylcarbazole moieties with m-xylene or p-xylene as the π-linker. D. functional theory calculations showed that the dihedral angles of the mols. using p-xylene as the π-linker were in the range of 54.8°-55.7°, which are much smaller than those of the mols. using m-xylene as the π-linker (86.9°-91.4°). These mols. can form an exciplex with B3PyMPM, which is suitable for developing efficient OLEDs based on the co-host system. In this study, the OLED fabricated with the optimal exciplex host of PhCNCzm-MeCzPh/B3PyMPM doped with a phosphorescent emitter of Ir(ppy)₂(acac) exhibited an external quantum efficiency (EQE) of 31.5% with the main emission peak at 524 nm corresponding to the CIE coordinates of (0.316, 0.641). This high EQE could be attributed to the higher triplet energy of the exciplex caused by the increase in the intermol. distance between the donor and the acceptor in the exciplex when sterically hindered m-xylene was applied as the π-linker of the PhCzs. Efficient charge transfer from the co-host to the dopant in the emitting layer was identified via the anal. of the photophys. and elec. properties of the OLED devices, which explains the high performance of the devices. In the experiment, the researchers used many compounds, for example, 2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2Recommanded Product: 100189-84-2).

2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2) 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.Recommanded Product: 100189-84-2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rapid Discovery of Highly Potent and Selective Inhibitors of Histone Deacetylase 8 Using Click Chemistry to Generate Candidate Libraries was written by Suzuki, Takayoshi;Ota, Yosuke;Ri, Masaki;Bando, Masashige;Gotoh, Aogu;Itoh, Yukihiro;Tsumoto, Hiroki;Tatum, Prima R.;Mizukami, Tamio;Nakagawa, Hidehiko;Iida, Shinsuke;Ueda, Ryuzo;Shirahige, Katsuhiko;Miyata, Naoki. And the article was included in Journal of Medicinal Chemistry in 2012.Computed Properties of C9H11BrO This article mentions the following:

To find HDAC8-selective inhibitors, we designed a library of HDAC inhibitor candidates, each containing a zinc-binding group that coordinates with the active-site zinc ion, linked via a triazole moiety to a capping structure that interacts with residues on the rim of the active site. These compounds were synthesized by using click chem. Screening identified HDAC8-selective inhibitors including (I) (IC₅₀ = 0.070 μM), which was more potent than PCI-34058 (IC₅₀ = 0.31 μM), a known HDAC8 inhibitor. Mol. modeling suggested that the phenylthiomethyl group of I binds to a unique hydrophobic pocket of HDAC8, and the orientation of the phenylthiomethyl and hydroxamate moieties (fixed by the triazole moiety) is important for the potency and selectivity. The inhibitors caused selective acetylation of cohesin in cells and exerted growth-inhibitory effects on T-cell lymphoma and neuroblastoma cells (GI₅₀ = 3-80 μM). These findings suggest that HDAC8-selective inhibitors have potential as anticancer agents. 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. 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). 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 C9H11BrO

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Effect of the Molecular Conformation on Excitation Energy Transfer in Conformationally Constrained Boryl-BODIPY Dyads was written by Nandi, Rajendra Prasad;P, Chinna Ayya Swamy;Dhanalakshmi, Pandi;Behera, Santosh Kumar;Thilagar, Pakkirisamy. And the article was included in Inorganic Chemistry in 2021.COA of Formula: C8H8Br2 This article mentions the following:

We studied the dual emission characteristics of a series of boryl-BODIPYs (1-6) comprised of triarylborane (TAB) as an energy donor and BODIPY as an energy acceptor. The mol. conformations of dyads 1-6 were systematically tuned by judiciously changing the spacer that bridged the boryl and BODIPY moieties. Frontier MOs (FMOs) are localized in 3, 4, and 6 with a twisted mol. conformation. In contrast, FMOs are significantly delocalized in 1, 2, and 5 with the least-twisted mol. conformation. Dyads 1-6 showed dual emission features when they were excited at the TAB-dominated absorption band. However, the ratio between the two emission bands in 1-6 significantly varied depending on the mol. conformations. Systematic photoluminescence (PL) studies (both steady-state and time-resolved PL) together with computational, crystal structure, and anion binding studies established that the frustrated excited-state energy transfer from borane to BODIPY is the cause of the dual emission features in these mol. dyads. These studies also revealed that the energy transfer from borane to BODIPY can be elegantly tuned by modulating the dihedral angle between these two moieties. In the experiment, the researchers used many compounds, for example, 2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2COA of Formula: C8H8Br2).

2,5-Dibromo-1,3-dimethylbenzene (cas: 100189-84-2) 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.COA of Formula: C8H8Br2

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kinetics of the heterogeneous ozonation of nitrated phenols was written by Gould, J. P.;Ulirsch, G. V.. And the article was included in Water Science and Technology in 1992.Electric Literature of C6H3BrClNO3 This article mentions the following:

The kinetics of the heterogeneous ozonization of PhOH and 27 nitrophenols representing a wide array of functional groups was studied. In the systems examined, the process was of zero order with respect to phenolic concentration, which indicates mass transfer as the prime control on the process. Anal. of the 1st-order rate constants permitted computation of overall mass transfer coefficients for all compounds The coefficients were 60% lower than the k_La (where k_L = liquid mass transfer coefficient and a = sp. interfacial surface area) values measured by others in water and showed very little variation regardless of chem. structure of the phenol. Efforts at development of a QSAR model for the kinetics were fruitless. In the experiment, the researchers used many compounds, for example, 4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2Electric Literature of C6H3BrClNO3).

4-Bromo-2-chloro-6-nitrophenol (cas: 58349-01-2) 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.Electric Literature of C6H3BrClNO3

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

^tBuOK-Promoted Cyclization of Imines with Aryl Halides was written by Li, Ya-Wei;Zheng, Hong-Xing;Yang, Bo;Shan, Xiang-Huan;Qu, Jian-Ping;Kang, Yan-Biao. And the article was included in Organic Letters in 2020.COA of Formula: C7H5Br2F This article mentions the following:

A transition-metal-free indole synthesis using radical coupling of 2-halotoluenes and imines via the later-stage C-N bond construction was reported for the first time. It includes an aminyl radical generation by C-H cleaving addition of 2-halotoluenes to imines via the carbanion radical relay and an intramol. coupling of aryl halides with aminyl radicals. One standard condition can be used for all halides including F, Cl, Br, and I. No extra oxidant or transition metal is required. In the experiment, the researchers used many compounds, for example, 2-Bromo-4-fluorobenzylbromide (cas: 61150-57-0COA of Formula: C7H5Br2F).

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). 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.COA of Formula: C7H5Br2F

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI) was written by Heerding, D. A.;Chan, G.;DeWolf, W. E.;Fosberry, A. P.;Janson, C. A.;Jaworski, D. D.;McManus, E.;Miller, W. H.;Moore, T. D.;Payne, D. J.;Qiu, X.;Rittenhouse, S. F.;Slater-Radosti, C.;Smith, W.;Takata, D. T.;Vaidya, K. S.;Yuan, C. C. K.;Huffman, W. F.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2001.SDS of cas: 6515-58-8 This article mentions the following:

1,4-Disubstituted imidazole inhibitors of Staphylococcus aureus and Escherichia coli enoyl acyl carrier protein reductase (FabI) were identified. Example compounds thus prepared included 4-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-1H-imidazole, 4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole, 1-[(4-nitrophenyl)methyl]-4-(3-thienyl)-1H-imidazole, 3-[(4-Methylphenyl)methyl]-5-(3-thienyl)-1,2,4-Oxadiazole and 4-[(4-methylphenyl)methyl]-2-(3-thienyl)oxazole. Crystal structure data showed 1-[(4-methylphenyl)methyl]-4-(2-thienyl)-1H-imidazole (inhibitor) bound in the enzyme active site of E. coli FabI. 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. Most organobromine compounds, like most organohalide compounds, are relatively nonpolar. 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.SDS of cas: 6515-58-8

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

A Detailed Evaluation for the Nonradiative Processes in Highly Phosphorescent Iridium(III) Complexes was written by Kim, Jin-Hyoung;Kim, So-Yoen;Cho, Yang-Jin;Son, Ho-Jin;Cho, Dae Won;Kang, Sang Ook. And the article was included in Journal of Physical Chemistry C in 2018.HPLC of Formula: 454-65-9 This article mentions the following:

To understand the intrinsic nature of nonradiative processes in heteroleptic cyclometalated Ir(III) complexes, highly phosphorescent Ir³⁺ complexes containing 2-(3-sulfonylfluorophenyl)pyridine (ppySO₂F) as the cyclometalated ligand were newly synthesized. Three ancillary ligands, acetylacetonate (acac), picolinate (pic), and tetrakis-pyrazolyl borate (bor), were employed for the preparation of the Ir(III) complexes [Ir(ppySO₂F)₂(acac)] (Ir-acac), [Ir(ppySO₂F)₂(pic)] (Ir-pic), and [Ir(ppySO₂F)₂(bor)] (Ir-bor). The mol. structures were characterized by x-ray crystallog. Blue phosphorescence maximum were observed at 458, 467, and 478 nm for Ir-bor, Ir-pic, and Ir-acac, resp., at 77 K, and the corresponding emission quantum yields are 0.79, 0.80, and 0.98 in anaerobic CH₂Cl₂ at 300 K. Phosphorescence decay times are 3.58, 1.94, and 1.44 μs for Ir-bor, Ir-pic, and Ir-acac, resp. No temperature dependence was observed for the emission lifetimes in 298-338 K. There is no activation barrier to crossing to a nonradiative state like metal-centered (MC, d-d) state. The radiative rate constants (k_r) are within a narrow range of 3.0-5.5 × 10^-5 s^-1. However, the nonradiative rate constants (k_nr) are within a wide range of 14.2-0.52 × 10^-4 s^-1. The k_nr values showed exponetial correlation with the energy gap. The authors carried out ab initio calculations to evaluate the energy states and their corresponding orbitals. The nonemissive MC states lie at higher energies than the emissive metal-to-ligand charge transfer (MLCT) state, and hence, the MC states can be excluded from the nonradiative pathway. In the experiment, the researchers used many compounds, for example, 3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9HPLC of Formula: 454-65-9).

3-Bromobenzene-1-sulfonyl fluoride (cas: 454-65-9) 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. In the pharmaceutical industry organo bromine derivatives are used as sedatives, vasodilators, antiseptic agents, and anticancer agents.HPLC of Formula: 454-65-9

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

The effect of bromide ions on the reaction of alkylaromatic compounds with cerium(IV) ammonium nitrate in acetic acid. An efficient method for the side-chain bromination of toluenes with electron-withdrawing substituents was written by Baciocchi, Enrico;Rol, Cesare;Sebastiani, Giovanni V.;Serena, Bernardino. And the article was included in Journal of Chemical Research, Synopses in 1984.Application of 6515-58-8 This article mentions the following:

Treatment of RR¹C₆H₃Me [R = 3-CO₂H, 4-NO₂, 4-(2-HO₂C)C₆H₄CO, 4-Br, H, R¹ = H; R = 2-Cl, R¹ = 4-Cl, 6-Cl] with (NH₄)₂Ce(NO₃)₆ in AcOH-KBr at 80° for 1-2.5 h gave RR¹C₆H₃CH₂Br (I) in 50-80% yield. As I can be converted into RR¹C₆H₃CH₂OAc in the same reaction medium, this provides a method for side-chain acetoxylation of toluenes. In the experiment, the researchers used many compounds, for example, 3-(Bromomethyl)benzoic acid (cas: 6515-58-8Application of 6515-58-8).

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

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary