Tag: M.W=150-200

Lu, Shu-Ning; Sun, Yue; Zhang, Jiajun; Chen, Zhengkai; Wu, Xiao-Feng published the artcile< Metal-free Synthesis of 5-Trifluoromethyl-1,2,4-triazoles via elemental sulfur promoted oxidative cyclization of trifluoroacetimidohydrazides with benzylic and aliphatic amines>, Category: bromides-buliding-blocks, the main research area is trifluoromethyl triazole preparation glycine transporter 1 inhibitor; aralkyl amine trifluoroacetimidohydrazide oxidative cyclization elemental sulfur promoter.

An elemental sulfur-mediated oxidative cyclization of readily available trifluoroacetimidohydrazides and aliphatic amines has been achieved, which provided a direct avenue to structurally diverse 5-trifluoromethyl-1,2,4-triazoles. In this transformation, sulfur acts as a traceless oxidizing agent. A myriad of benzyl amines and tertiary aliphatic amines were tolerated in this protocol. The reaction can be scaled up easily and also been applied to build GlyT1 inhibitor as an example of bio-active mol.

Molecular Catalysis published new progress about Aliphatic amines Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xu, Hui; Li, Xia; Hao, Huimin; Dong, Xiaoyun; Sheng, Wenlong; Lang, Xianjun published the artcile< Designing fluorene-based conjugated microporous polymers for blue light-driven photocatalytic selective oxidation of amines with oxygen>, Application In Synthesis of 3959-07-7, the main research area is microporous conjugated polyfluorene polycarbazole blue light photocatalytic amine oxidation.

Conjugated microporous polymers (CMPs) have been showcased with a brilliant prospect in organic semiconductor photocatalysis, attributing to accessible mol. design, chem. stability and environmental friendliness. Here, two novel fluorene-based CMPs were designed and conveniently synthesized with carbazole as an electron donor. Importantly, subtle variation of substituent at the methylene bridge (9-position) of fluorene precursor results in different performances in which di-Me substituent was proven to be more efficient than difluoro substituent for blue light photocatalysis. MFC [9,9′-(9,9-dimethyl-9H-fluorene-2,7-diyl)bis(9H-carbazole)]-CMP has a much larger sp. surface area, a more favorable redox position, and resultantly a superior photocatalytic performance during blue light-driven selective oxidation of amines into imines with oxygen (O2) in an environmentally benign solvent ethanol (C2H5OH). This work suggests that subtle tweaking in electron acceptors could give rise to superior photocatalytic activity for CMPs in selective chem. conversions.

Applied Catalysis, B: Environmental published new progress about Band gap. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Application In Synthesis of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Baulu, Nicolas; Poradowski, Marie-Noelle; Verrieux, Ludmilla; Thuilliez, Julien; Jean-Baptiste-dit-Dominique, Francois; Perrin, Lionel; D’Agosto, Franck; Boisson, Christophe published the artcile< Design of selective divalent chain transfer agents for coordinative chain transfer polymerization of ethylene and its copolymerization with butadiene>, Formula: C9H11Br, the main research area is divalent chain transfer agent ethylene butadiene polymerization.

PhMg(CH2)5MgPh and MesMg(CH2)5MgMes – divalent bis-metalated chain transfer agents (CTA) – were designed, synthesized and implemented in the polymerization of ethylene or the copolymerization of ethylene with butadiene mediated by {(Me2Si(C13H8)2)Nd(μ-BH4)[(μ-BH4)Li(THF)]}2. The systems showed coordinative chain transfer (co)polymerization features with a selectivity towards the initiation depending on the CTA used. Whereas PhMg(CH2)5MgPh initiated chain growth both at the alkyl and aryl sides, MesMg(CH2)5MgMes led to an unprecedented selective polymer chain growth from the alcanediyl moiety while the mesityl groups remain as spectators. The mechanism of the polymerization initiation has been investigated computationnaly at the DFT level. The theor. contribution of the study highlights the different intermediates formed upon combination of the neodymium metallocene and the magnesium CTA, and rationalize the specifity confered by the mesityl groups to induce selective initiation on an alkyl moiety.

Polymer Chemistry published new progress about Chain transfer agents. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Formula: C9H11Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Kashida, Junki; Shoji, Yoshiaki; Fukushima, Takanori published the artcile< Synthesis and Reactivity of Cyclic Borane-Amidine Conjugated Molecules Formed by Direct 1,2-Carboboration of Carbodiimides with 9-Borafluorenes>, Related Products of 576-83-0, the main research area is cyclic borane amidine conjugated preparation carboboration carbodiimide borafluorene; crystal mol structure cyclic borane amidine conjugate; amidines; borafluorenes; carboboration; carbodiimides; heterocycles.

Efficient 1,2-carboboration reactions to the C:N bond of carbodiimides with 9-borafluorenes, which give rise to cyclic borane-amidine conjugates with a seven-membered BNC5 ring, are reported. The resulting cyclic borane-amidine conjugates can be hydrolyzed into an acyclic bifunctional biaryl compound carrying both boronic acid and amidine groups, rendering the utility of the two-step protocol for the synthesis of multi-functionalized mol. systems with a potential as a supramol. building block. Furthermore, the conjugated structure of the cyclic boron-amidine compounds can be changed upon alkylation of the boron atom that increases the coordination number of boron. The combination of Lewis acid (borane) and conjugated base (amidine) provides rich structural diversity of heteroatom-containing π-conjugated systems.

Chemistry – An Asian Journal published new progress about Borylation (carboboration). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Related Products of 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mal, Kajal; Mukhopadhyay, Chhanda published the artcile< Chromatography free expeditious green synthesis of 3-hydroxy-2-pyrrolidone derivatives under eco-friendly conditions via the oxidation of benzyl amines without catalyst>, Product Details of C7H8BrN, the main research area is hydroxypyrrolidone preparation green chem; benzyl amine dialkylacetylenedicarboxylate oxidation.

A sustainable and atom economic one-pot synthesis of biol. significant 3-hydroxy-2-pyrrolidone moieties via the reaction of benzyl amine, aniline (or another benzyl amine) and dialkylacetylenedicarboxylate without catalyst in green solvent has been developed. Some remarkable features of this green procedure are aqueous ethanol solvent, reaction without catalyst, no column chromatog. for isolation of the products, higher the value of atom economy (AE) (up to 94.30%) and lower the E-factor value (up to 0.23 g/g). The reaction principally demonstrates the scope of oxidation of benzyl amines followed by cyclization. This synthetic route is also applicable to gram-scale synthesis.

Journal of Molecular Structure 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, Product Details of C7H8BrN.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Swier, L. J. Y. M.; Monjas, L.; Reessing, F.; Oudshoorn, R. C.; Aisyah; Primke, T.; Bakker, M. M.; van Olst, E.; Ritschel, T.; Faustino, I.; Marrink, S. J.; Hirsch, A. K. H.; Slotboom, D. J. published the artcile< Insight into the complete substrate-binding pocket of ThiT by chemical and genetic mutations>, SDS of cas: 188813-04-9, the main research area is ThiT gene mutation binding pocket Lactococcus.

Energy-coupling factor (ECF) transporters are involved in the uptake of micronutrients in bacteria. The transporters capture the substrate by high-affinity binding proteins, the so-called S-components. Here, we present the anal. of two regions of the substrate-binding pocket of the thiamine-specific S-component in Lactococcus lactis, ThiT. First, interaction of the thiazolium ring of thiamine with residues Trp34, His125 and Glu84 by π-π-stacking and cation-π is studied, and second, the part of the binding pocket that extends from the hydroxyl group. We mutated either the transported ligand (chem.) or the protein (genetically). Surprisingly, modifications in the thiazolium ring by introducing substituents with opposite electronic effects had similar effects on the binding affinity. We hypothesize that the electronic effects are superseeded by steric effects of the added substituents, which renders the study of isolated interactions difficult. Amino acid substitutions in ThiT indicate that the electrostatic interaction facilitated by residue Glu84 of ThiT and thiamine is necessary for picomolar affinity. Deazathiamine derivatives that explore the subpocket of the binding site extending from the hydroxyl group of thiamine bind with high affinity to ThiT and may be developed into selective inhibitors of thiamine transport by ECF transporters. Mol.-dynamics simulations suggest that two of these derivatives may not only bind to ThiT, but could also be transported.

MedChemComm published new progress about Electrostatic force. 188813-04-9 belongs to class bromides-buliding-blocks, and the molecular formula is C8H7BrO, SDS of cas: 188813-04-9.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Larsen, Matthew A.; Oeschger, Raphael J.; Hartwig, John F. published the artcile< Effect of Ligand Structure on the Electron Density and Activity of Iridium Catalysts for the Borylation of Alkanes>, Recommanded Product: 2,4,6-Trimethylbromobenzene, the main research area is phenanthroline ligand iridium catalyst electron density borylation alkane; C–H borylation; alkane functionalization; catalyst design; iridium; phenanthrolines; reaction kinetics.

An in-depth study of iridium catalysts for the borylation of alkyl C-H bonds is reported. Although the borylation of aryl C-H bonds can be catalyzed by iridium complexes containing phen or bpy ligands at mild temperatures and with limiting arene, the borylation of alkyl C-H bonds remains underdeveloped. We prepared a library of phenanthrolines that contain varying substitution patterns. The corresponding phen-Ir trisboryl carbon monoxide complexes were synthesized to determine the electron-donating ability of these ligands, and the initial rates for the borylation of the C-H bonds in THF and diethoxyethane β to oxygen catalyzed by Ir complexes containing these ligands were measured. For some subsets of these ligands, the donor ability correlated pos. with the rate of C-H borylation catalyzed by the complexes containing ligands within a given subset. However, across subsets, ligands possessing similar donor properties to one another form catalysts for the borylation of alkyl C-H bonds with widely varying activity. This phenomenon was investigated computationally, and it was discovered that the stabilizing interactions between the phenanthroline ligand and the boryl ligands attached to Ir in the transition state for C-H oxidative addition could account for the differences in the activity of the catalysts that possess similar electron densities at Ir. The effect of these interactions on the borylation of secondary alkyl C-H bonds is larger than it is on the borylation of primary alkyl C-H bonds.

ACS Catalysis published new progress about Alkanes Role: PEP (Physical, Engineering or Chemical Process), PRP (Properties), RCT (Reactant), PROC (Process), RACT (Reactant or Reagent). 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

Wang, Zi-Yuan; Dai, Ya-Zhong; Ding, Li; Dong, Bo-Wei; Jiang, Shang-Da; Wang, Jie-Yu; Pei, Jian published the artcile< A Stable Triplet-Ground-State Conjugated Diradical Based on a Diindenopyrazine Skeleton>, Formula: C9H11Br, the main research area is indenopyrazine stable triplet ground state conjugated diradical; conjugated radicals; high-spin; pyrazine; singlet-triplet gap; stable radicals.

High-spin conjugated radicals have great potential in magnetic materials and organic spintronics. However, to obtain high-spin conjugated radicals is still quite challenging due to their poor stability. We report the successful synthesis and isolation of a stable triplet conjugated diradical, 10,12-diaryldiindeno[1,2-b:2′,1′-e]pyrazine (m-DIP, I, Ar = mesityl, substituted 9-anthryl). With the m-xylylene analog skeleton containing electron-deficient sp2-nitrogen atoms, m-DIP displays significant aromatic character within its pyrazine ring and its spin d. mainly delocalizes on the meta-pyrazine unit, making it a triplet ground state conjugated diradical. Our work provides an effective “”spin d. tuning”” strategy for stable high-spin conjugated radicals.

Angewandte Chemie, International Edition published new progress about Amphoteric materials. 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Formula: C9H11Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Shon, Jong-Hwa; Kim, Dooyoung; Rathnayake, Manjula D.; Sittel, Steven; Weaver, Jimmie; Teets, Thomas S. published the artcile< Photoredox catalysis on unactivated substrates with strongly reducing iridium photosensitizers>, HPLC of Formula: 576-83-0, the main research area is aryl halide alkyl hydrodehalogenation iridium photocatalyst.

In this work, the strong bis-cyclometalated iridium photoreductants with electron-rich β-diketiminate (NacNac) ancillary ligands enable high-yielding photoredox transformations of challenging substrates with very simple reaction conditions that require only a single sacrificial reagent. Using blue or green visible-light activation a variety of reactions, which include hydrodehalogenation, cyclization, intramol. radical addition, and prenylation via radical-mediated pathways, with optimized conditions that only require the photocatalyst and a sacrificial reductant/hydrogen atom donor were demonstrated. Many of these reactions involve organobromide and organochloride substrates RX (R = 3-methoxyphenyl, 4-cyanophenyl, {1-[(benzyloxy)carbonyl]piperidin-4-yl}, etc.; X = Br, Cl) which in the past have had limited utility in photoredox catalysis. This work paves the way for the continued expansion of the substrate scope in photoredox catalysis.

Chemical Science published new progress about Alkanes Role: SPN (Synthetic Preparation), PREP (Preparation). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, HPLC of Formula: 576-83-0.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jin, Sen; Wang, Hui; Li, Lei; Luo, Xiao; Sun, Xianshun; Zuo, Ming; Tian, Jie; Zhang, Xiaodong; Xie, Yi published the artcile< Surface modification boosts exciton extraction in confined layered structure for selective oxidation reaction>, Computed Properties of 3959-07-7, the main research area is exciton extraction layered structure selective oxidation reaction surface modification.

Extracting photogenerated species from bulk to surface is an essential process for gaining efficient semiconductor-based photocatalysis. However, compared with charged photogenerated carriers, neutral exciton exhibits negligible response to elec. field. Accordingly, traditional strategies involving band-alignment construction for boosting directional transfer of charge carriers are impracticable for extracting bulk excitons. To this issue, we here propose that the extraction of bulk exciton could be effectively implemented by surface modification. By taking confined layered bismuth oxycarbonate (Bi2O2CO3) as an example, we highlight that the incorporation of iodine atoms on the surface could modify the micro-region electronic structure and hence lead to reduced energy of surface excitonic states. Benefiting from the energy gradient between bulk and surface excitonic states, iodine-modified Bi2O2CO3 possesses high-efficiency bulk exciton extraction, and hence exhibits promoted performance in triggering 1O2-mediated selective oxidation reaction. This work presents the pos. role of surface modification in regulating excitonic processes of semiconductor-based photocatalysts.

Science China: Chemistry published new progress about Absorption spectra. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Computed Properties of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary