Month: October 2022

Yao, Shengxin; Gai, Lizhi; Jiang, Liang; Liu, Hui; Mack, John; Zhao, Yue; Chan, Kin Shing; Shen, Zhen published the artcile< Low-symmetry porphyrin analogues with flexible open-form dithienylethene moieties: Intense near IR Q bands>, Recommanded Product: 2,4,6-Trimethylbromobenzene, the main research area is symmetry porphyrin dithienylethene moiety intense near IR Q band.

Two low-symmetry porphyrinoids with a dithienylethene (DTE) moiety incorporated into the core macrocycle, that contain either a CHO or a bridging Me ether group, have been serendipitously synthesized through a Rothemund condensation reaction. X-ray crystal structures demonstrate that CHO and bridging Me ether groups on the DTE moiety changes the conformation of the macrocycle and significantly influences the relative energies of the frontier orbitals of the porphyrinoid π-system and results in a remarkable enhancement and broadening of the Q bands in the 450-800 nm region compared to those of conventional tetrapyrrolic porphyrins. The introduction of a DTE moiety provides an effective strategy for achieving the intense near-IR region absorption that is required for many of the practical applications of porphyrinoids, through a disruption of the macrocyclic π-system that is similar to that of naturally occurring corrins.

Dyes and Pigments published new progress about Bond angle, dihedral. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Recommanded Product: 2,4,6-Trimethylbromobenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Rong-Jian; Ling, Chun; Lv, Wen-Rui; Deng, Wei; Yao, Zi-Jian published the artcile< Cyclometalated Half-Sandwich Iridium(III) Complexes: Synthesis, Structure, and Diverse Catalytic Activity in Imine Synthesis Using Air as the Oxidant>, HPLC of Formula: 3959-07-7, the main research area is crystal structure mol iridium cyclometalated half sandwich complexes preparation; iridium cyclometalated complexes catalyst imine preparation air oxidant.

Four air-stable cyclometalated half-sandwich iridium complexes 1-4 with C,N-donor Schiff base ligands were prepared through C-H activation in moderate-to-good yields. These complexes have been well characterized, and their exact structure was elaborated on by single-crystal X-ray anal. The iridium(III) complexes 1-4 showed good catalytic activity in the imine synthesis under open-flask conditions (air as the oxidant) from primary amine oxidative homocoupling, secondary amine dehydrogenation, and the cross-coupling reaction of amine and alc. Substituents bonded on the ligands of the iridium complexes displayed little effect on the catalytic efficiency. The stability and good catalytic efficiency of the iridium catalysts, mild reaction conditions, and substrate universality showed their potential application in industrial production

Inorganic Chemistry published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, HPLC of Formula: 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wu, Shaofeng; Geng, Furong; Dong, Jianyu; Liu, Long; Zhou, Yongbo published the artcile< Metal-Free Oxidative Annulation of Phenols and Amines: A General Synthesis of Benzoxazoles>, Product Details of C7H8BrN, the main research area is benzoxazole preparation; phenol amine oxidative annulation.

Under metal-free conditions, a highly general synthesis of benzoxazoles I [R = 5-i-Pr, 5,7-di-ter-Bu, 6-Ph, etc.; R1 = n-Pr, t-Bu, Ph, etc.] direct from abundant and easily available phenols and amines was developed via a modular phenol functionalization controlled by TEMPO. In the reaction, various phenols and primary amines with a broad range of functional groups were compatible, producing structurally and functionally diverse benzoxazoles I without or with trace observation of the byproducts of phenol transformation with amines. The practical synthesis, especially for drug tafamidis, demonstrated decisive advantages in generality, selectivity, efficiency, and atom- and step-economies over traditional methods, even in the cases of low yields. Mechanistically, the radical adducts of TEMPO with ortho-cyclohexa-2,4-dien-1-one radicals rather than the well-recognized cyclohexa-3,5-diene-1,2-diones might serve as intermediates.

Journal of Organic Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Product Details of C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Petrovich, P. I. published the artcile< Oxidative nitration of aromatic compounds. IV. Mercury compounds of some p-disubstituted benzenes and their reaction with nitric acid>, HPLC of Formula: 16426-64-5, the main research area is .

Heating 200 g. p-C6H4Cl2, 40 g. Hg(OAc)2, 60 ml. AcOH, and 1 ml. petr. ether 11.5 hrs. at 125° gave 50% acetoxymercuri-p-dichlorobenzene (I) m. 168.5-9.2°, along with bis(2,5-dichlorophenyl)mercury (II), m. 235-7°. The former with NaCl gave the chloromercuri analog, m. 207-7.5°. Similar reaction of 100 g. p-C6H4Cl2 and 20 g. Hg(OAc)2 in AcOH in the presence of petr. ether in 13 hrs. gave a moderate yield of II, which was also formed by heating I in boiling xylene 10 hrs. I heated without solvent at 172° gave p-C6H4Cl2. II heated with HgCl2 in EtOH-C6H6 gave chloromercuri-p-dichlorobenzene. Oxidation of chloromercuri-p-xylene with KMnO4 in aqueous NaOH at 95° gave 85.3% anhydro-2-(hydroxymercuri)terephthalic acid (Whitmore and Isenhour, CA 23, 4943), which with Br-KBr gave bromoterephthalic acid, m. 298-8.7°. Diazotization of 4-nitro-2-aminotoluene and treatment with HgCl2 gave a colorless 2:1 complex of 4-nitro-2-toluenediazonium chloride and HgCl2, which on conventional decomposition gave 38.8% 2-chloromercuri-4-nitrotoluene, m. 231.5-2°, which with powd. Cu in NH4OH gave bis(4-nitro-2-tolyl)mercury, m. 258.2-8.6°, while oxidation of the former with KMnO4 gave 75% anhydro-2-(hydroxymercuri)-4-nitrobenzoic acid (Whitmore and Middleton, CA 16, 2856), which with Br-KBr gave 2-bromo-4-nitrobenzoic acid, m. 167-8°. I added gradually to 58% HNO3 at 75° and stirred 1.2 hrs. (N oxide formation was caused by gradual addition of paraformaldehyde) gave some 2,5-dichloronitrobenzene (III) and a low yield of 3,6-dichloro-2,4-dinitrophenol (IV), m. 146.2-7°. Similar treatment of II also gave the same product in low yield. Heating 36 g. p-C6H4Cl2, 276 ml. 58% HNO3, 36 g. Hg(NO3)2, 1.2 g. NaNO2, and 1 ml. petr. ether 25 hrs. at 80° gave low yields of III and IV. The above reaction mixture heated in a sealed tube 7 hrs. at 140° (petr. ether omitted) gave HgCl2, 2,5-dichloro-1,3-dinitrobenzene, 2,5-dichloro-1,4-dinitrobenzene and, as the principal product, III (yield not stated). Heating anhydro-2-(hydroxymercuri)terephthalic acid with 58% HNO3 and a trace of NaNO2 (as above) 7 hrs. at 80° in a sealed tube gave 30% nitroterephthalic acid, m. 267-8°. Heating 2-chloromercuri-4-nitrotoluene with 58% HNO3 2.5 hrs. at 50° in the presence of NaNO2 gave a little 2-nitroso-4-nitrotoluene and 2,4-(O2N)2C6H3Me.

Zhurnal Obshchei Khimii published new progress about Nitration. 16426-64-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H4BrNO4, HPLC of Formula: 16426-64-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Xia; Zhang, Fulin; Wang, Yuexin; Xiong, Kanghui; Lang, Xianjun published the artcile< Extending the 2D conjugated microporous polymers linked by thiazolo[5,4-d]thiazole for green light-driven selective aerobic oxidation of amines>, Quality Control of 3959-07-7, the main research area is benzylimine preparation regioselective photochem; benzylamine aerobic oxidation thiazolothiazole microporous polymer catalyst; regioselective aerobic oxidation photocatalyst thiazolothiazole microporous polymer.

Donor-π-acceptor (D-π-A) type CMPs linked by the electron-deficient thiazolo[5,4-d]thiazole (TzTz, i.e. the acceptor) were designed by extending the donor from benzene to pyrene to broaden the visible light activity. Subsequently, two-dimensional (2D) CMPs, TzTz-CMP-Be and TzTz-CMP-Py, were constructed via a solvothermal process. The more extended π-conjugation and planar pyrene bestow upon TzTz-CMP-Py with broader absorption of visible light and higher efficiency of charge transfer than TzTz-CMP-Be. Significantly, TzTz-CMP-Py outperformed TzTz-CMP-Be in the green light-driven selective aerobic oxidation of amines RCH2NHR1 [R = Ph, pyridin-2-yl, thiophen-2-yl, etc.; R1 = H, t-Bu, Bn, 4-fluorobenzyl, etc.]. Remarkable photocatalytic performance was observed in converting a wealth of primary and secondary amines to corresponding imines RCH=NR1 with mol. oxygen (O2) over TzTz-CMP-Py. This work suggests that CMPs can be rationally designed for extensive visible light-driven selective organic transformations.

Journal of Materials Chemistry A: Materials for Energy and Sustainability published new progress about Aromatic imines Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Quality Control of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Xiaowei; Li, Yuxiu; Liu, Ruihua; Wang, Zemin; Li, Xiangqian; Shi, Dayong published the artcile< AcOH-mediated aerobic oxidative synthesis of 2-thioalkylbenzothiazoles via a three-component reaction>, Application In Synthesis of 3893-18-3, the main research area is aminothiophenol propenal thiophenol acetic acid mediator three component reaction; phenylulfanylalkyl benzothiazole regioselective preparation green chem.

An AcOH-mediated three-component reaction of 2-aminothiophenols, α,β-unsaturated aldehydes, and thiophenols to prepare high value-added 2-(thioalkyl)benzothiazoles, e.g., I, was developed. The reaction was conducted under metal-free conditions, where oxygen served as the terminal oxidant. In addition, this strategy was tolerant of different functional groups, providing efficient access to a variety of functionalized benzothiazole derivatives in moderate to good yields. This reaction has complete regioselectivity and provides a powerful method for building complex mols.

Tetrahedron Letters published new progress about Benzothiazoles Role: SPN (Synthetic Preparation), PREP (Preparation). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, Application In Synthesis of 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

MacKenzie, Ian A.; Wang, Leifeng; Onuska, Nicholas P. R.; Williams, Olivia F.; Begam, Khadiza; Moran, Andrew M.; Dunietz, Barry D.; Nicewicz, David A. published the artcile< Discovery and characterization of an acridine radical photoreductant>, Electric Literature of 576-83-0, the main research area is intramol photoinduced electron transfer dehalogenation acridine detosylation photocatalyst photocatalysis.

Photoinduced electron transfer (PET) is a phenomenon whereby the absorption of light by a chem. species provides an energetic driving force for an electron-transfer reaction1-4. This mechanism is relevant in many areas of chem., including the study of natural and artificial photosynthesis, photovoltaics and photosensitive materials. In recent years, research in the area of photoredox catalysis has enabled the use of PET for the catalytic generation of both neutral and charged organic free-radical species. These technologies have enabled previously inaccessible chem. transformations and have been widely used in both academic and industrial settings. Such reactions are often catalyzed by visible-light-absorbing organic mols. or transition-metal complexes of ruthenium, iridium, chromium or copper5,6. Although various closed-shell organic mols. have been shown to behave as competent electron-transfer catalysts in photoredox reactions, there are only limited reports of PET reactions involving neutral organic radicals as excited-state donors or acceptors. This is unsurprising because the lifetimes of doublet excited states of neutral organic radicals are typically several orders of magnitude shorter than the singlet lifetimes of known transition-metal photoredox catalysts7-11. Here we document the discovery, characterization and reactivity of a neutral acridine radical with a maximum excited-state oxidation potential of -3.36 V vs. a SCE, which is similarly reducing to elemental lithium, making this radical one of the most potent chem. reductants reported12. Spectroscopic, computational and chem. studies indicate that the formation of a twisted intramol. charge-transfer species enables the population of higher-energy doublet excited states, leading to the observed potent photoreducing behavior. We demonstrate that this catalytically generated PET catalyst facilitates several chem. reactions that typically require alkali metal reductants and can be used in other organic transformations that require dissolving metal reductants.

Nature (London, United Kingdom) published new progress about Dehalogenation catalysts, photochem.. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Electric Literature of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Giardina, Sarah F.; Werner, Douglas S.; Pingle, Maneesh; Feinberg, Philip B.; Foreman, Kenneth W.; Bergstrom, Donald E.; Arnold, Lee D.; Barany, Francis published the artcile< Novel, Self-Assembling Dimeric Inhibitors of Human β Tryptase>, SDS of cas: 1013031-65-6, the main research area is self assembling dimeric inhibitor human beta tryptase preparation; heterodimeric tryptase inhibitor mol modeling pharmacokinetics.

β-Tryptase, a homotetrameric serine protease, has four identical active sites facing a central pore, presenting an optimized setting for the rational design of bivalent inhibitors that bridge two adjacent sites. Using diol, hydroxymethyl phenols or benzoyl Me hydroxamates, and boronic acid chemistries to reversibly join two [3-(1-acylpiperidin-4-yl)phenyl]methanamine core ligands, we have successfully produced a series of self-assembling heterodimeric inhibitors. These heterodimeric tryptase inhibitors demonstrate superior activity compared to monomeric modes of inhibition. X-ray crystallog. validated the dimeric mechanism of inhibition, and compounds demonstrated high selectivity against related proteases, good target engagement, and tryptase inhibition in HMC1 xenograft models. Screening 3872 possible combinations from 44 boronic acid and 88 diol derivatives revealed several combinations that produced nanomolar inhibition, and seven unique pairs produced greater than 100-fold improvement in potency over monomeric inhibition. These heterodimeric tryptase inhibitors demonstrate the power of target-driven combinatorial chem. to deliver bivalent drugs in a small mol. form.

Journal of Medicinal Chemistry published new progress about Homo sapiens. 1013031-65-6 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6Br2O, SDS of cas: 1013031-65-6.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Zhou, Jun; Li, Xia; Ma, Xiaoming; Sheng, Wenlong; Lang, Xianjun published the artcile< Cooperative photocatalysis of dye-TiO2 nanotubes with TEMPO+BF-4 for selective aerobic oxidation of amines driven by green light>, Quality Control of 3959-07-7, the main research area is photocatalysis dye titania nanotube selective aerobic oxidation amine.

Visible light photocatalysis could offer an eco-friendly alternative for selective transformation of organic mols. Herein, a cooperative system is created with alizarin red S (ARS), TiO2 nanotubes (TNTs), and an extra redox mediator. The electron transfer between oxidatively quenched ARS-TNTs and the redox mediator is the key to secure cooperative photocatalysis. The selective aerobic oxidation of primary and secondary amines was constructed by cooperative photocatalysis of ARS-TNTs with 2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate (TEMPO+BF-4) driven by green light. Specifically, the activity of anatase TNTs could reach about 2.2 times that of the P25 (Aeroxide P25) TiO2 precursor. Due to increased polarity, TEMPO+BF-4 serves more efficiently for electron transfer than (2,2,6,6-tetramethylpiperidin-1-yl)oxy (TEMPO), conferring above 1.5 times of activity that of TEMPO for the selective aerobic conversion of amines. This work features the potential of designing redox mediators in amplifying cooperative photocatalysis driven by visible light.

Applied Catalysis, B: Environmental published new progress about Aromatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Quality Control of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ghosh, Arghya; Barik, Soumen; Biju, Akkattu T. published the artcile< NHC-Catalyzed [3 + 3] Annulation of Thioamides and Modified Enals for the Enantioselective Synthesis of Functionalized Thiazinones>, SDS of cas: 3893-18-3, the main research area is thiazinone preparation enantioselective; thioamide bromoenal thia Michael addition intramol cyclization.

N-Heterocyclic carbene (NHC)-catalyzed [3 + 3] annulation of thioamides with modified enals allowing the enantioselective synthesis of functionalized 1,3-thiazin-4-ones is reported. The NHC generated from the chiral triazolium salt was optimal and the reaction is initiated by the thia-Michael addition to catalytically generated α,β-unsaturated acylazolium intermediates derived from 2-bromoenals, followed by intramol. cyclization. This operationally simple procedure offers a straightforward and rapid access to target compounds in moderate to good yields and enantiomeric ratio values.

Organic Letters published new progress about Cyclization catalysts, stereoselective ([3 + 3]). 3893-18-3 belongs to class bromides-buliding-blocks, and the molecular formula is C9H7BrO, SDS of cas: 3893-18-3.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary