Month: December 2022

Jin, Qiong-Hua published the artcileBromo(1,10-phenanthroline-N,N’)(triphenylphosphine)copper(I), Category: bromides-buliding-blocks, the publication is Acta Crystallographica, Section C: Crystal Structure Communications (1999), C55(9), i, database is CAplus.

Crystals of the title compound are triclinic, space group P1̅, with a 8.409(4), b 9.327(4), c 18.144(7) Å, α 78.555(14), β 76.85(2), γ 70.50(2)°; Z = 2, d_c = 1.503; R = 0.037, R_w(F²) = 0.086 for 6237 reflections. The coordination polyhedron with Cu as the center atom is a distorted tetrahedron, with two N atoms of phenanthroline, one Br atom and one P atom of PPh₃ occupying the four corners.

Acta Crystallographica, Section C: Crystal Structure Communications published new progress about 25753-84-8. 25753-84-8 belongs to bromides-buliding-blocks, auxiliary class Copper, name is Bromo(1,10-phenanthroline)(triphenylphosphine)copper(I), and the molecular formula is C30H24BrCuN2P, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zhou, Jinjun published the artcileTuning Energy Levels of Low Bandgap Semi-Random Two Acceptor Copolymers, Application of 2,5-Dibromo-3,4-dinitrothiophene, the publication is Macromolecules (Washington, DC, United States) (2013), 46(9), 3391-3394, database is CAplus.

A series of low bandgap semi-random copolymers incorporating various ratios of two acceptor units – thienothiadiazole and benzothiadiazole – were synthesized by Pd-catalyzed Stille coupling. The polymer films exhibited broad and intense absorption spectra, covering the spectral range from 350 nm up to 1240 nm. The optical bandgaps and HOMO levels of the polymers were calculated from UV-visible spectroscopy and cyclic voltammetry measurements, resp. By changing the ratio of the two acceptor monomers, the HOMO levels of the polymers were tuned from -4.42 to -5.28 eV and the optical bandgaps were varied from 1.00 to 1.14 eV. The results indicate our approach could be applied to the design and preparation of conjugated polymers with specifically desired energy levels and bandgaps for photovoltaic applications.

Macromolecules (Washington, DC, United States) published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C11H16BNO3S, Application of 2,5-Dibromo-3,4-dinitrothiophene.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Chen, Lin X. published the artcileDynamics of Photoinduced Electron Transfer in a Molecular Donor-Acceptor Quartet, Synthetic Route of 303734-52-3, the publication is Journal of Physical Chemistry B (2006), 110(24), 11730-11738, database is CAplus and MEDLINE.

The electronic structures and dynamics of photoinduced charge separation and recombination in a new donor/acceptor quartet mol. with bis-oligothiophene (BOTH) and bis-perylenediimide (BPDI) blocks attached to a benzene ring were described. Detailed transient spectroscopic studies were carried out on this compound and reference compounds at isolated mol. levels in solution Two different dynamics of charge separation and recombination associated with two types of donor/acceptor pair conformations in solution were observed These results were discussed based on Marcus theory and ascribed to both through-bond and through-space electron-transfer processes associated with two different orientations of the acceptors relative to the donor group. This mol. system exhibits a more efficient charge separation than charge recombination processes in both polar and nonpolar organic solvents, indicating that the material is an interesting candidate for photovoltaic studies in solid state.

Journal of Physical Chemistry B published new progress about 303734-52-3. 303734-52-3 belongs to bromides-buliding-blocks, auxiliary class Thiophene,Bromide, name is 2-Bromo-3-(2-ethylhexyl)thiophene, and the molecular formula is C12H19BrS, Synthetic Route of 303734-52-3.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zhao, Tian-Yuan published the artcileNickel-Catalyzed Desymmetric Reductive Cyclization/Coupling of 1,6-Dienes: An Enantioselective Approach to Chiral Tertiary Alcohol, Synthetic Route of 111-83-1, the publication is Angewandte Chemie, International Edition (2022), 61(11), e202115702, database is CAplus and MEDLINE.

Authors have developed a nickel-catalyzed desym. reductive cyclization/coupling of 1,6-dienes. The reaction provides an efficient method for constructing a chiral tertiary alc. and a quaternary stereocenter by a single operation. The method has excellent diastereoselectivity and high enantioselectivity, a broad substrate scope, as well as good tolerance of functional groups. Preliminary mechanism studies show that alkyl nickel(I) species are involved in the reaction.

Angewandte Chemie, International Edition published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C24H20Ge, Synthetic Route of 111-83-1.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Tian, Ping-ping published the artcileNucleophilic fluoroalkylation of terminal vinyl triflones with SO₂CF₃ as a removable activating group, Recommanded Product: Ethylbromofluoroacetate, the publication is Tetrahedron Letters (2019), 60(15), 1015-1018, database is CAplus.

Terminal vinyl triflones served as excellent Michael addition acceptors which readily reacted with difluoromethylene phosphabetaine and di- or mono-fluoroalkyl bromides to afford compounds containing CF₂ or CF groups. This fluoroalkylation was characterized by mild reaction conditions, ready availability of reagents and excellent functional-group tolerance.

Tetrahedron Letters published new progress about 401-55-8. 401-55-8 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Aliphatic hydrocarbon chain,Ester, name is Ethylbromofluoroacetate, and the molecular formula is C14H14, Recommanded Product: Ethylbromofluoroacetate.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Chen, Xin published the artcileSynthesis of PEGylated Salicylaldehyde Azine via Metal-free Click Chemistry for Cellular Imaging Applications, Category: bromides-buliding-blocks, the publication is Chemical Research in Chinese Universities (2019), 35(5), 929-936, database is CAplus.

In this work, two kinds of PEGylated salicylaldehyde azine(SA) polymers were prepared and investigated for cellular imaging applications. First, a diazido derivative of SA was synthesized and subsequently PEGylated with polyethylene glycol monomethyl ether(mPEG) by metal-free azide-alkyne 1,3-dipolar cycloaddition reaction. The formed triazole group in mPEG-SA was then converted into cationic triazolium group by N-alkylation reaction. Both the synthesized polymers, mPEG-SA and N-alkylated mPEG-SA, showed good dispersibility in water, but differences in self-assembly of nanostructures. The mPEG-SA with triazole groups self-assembled into micelles, while the N-alkylated mPEG-SA with triazolium groups self-assembled into vesicles. Furthermore, mPEG-SA and N-alkylated mPEG-SA nanoparticles showed bright fluorescence due to the aggregation of AIE-active SA mols. in the nano-particles and could be successfully used as fluorescent nanoprobes for bioimaging applications in HeLa cancer cells. Finally, both the synthesized polymers showed minimal cytotoxicity and low hemolytic activity. Therefore, these PEGylated SA polymers proved to be promising bioimaging nanoprobes or traceable drug delivery vehicles.

Chemical Research in Chinese Universities published new progress about 1207448-58-5. 1207448-58-5 belongs to bromides-buliding-blocks, auxiliary class Bromide,Benzene,Phenol,Ether,Aldehyde, name is 4-((6-Bromohexyl)oxy)-2-hydroxybenzaldehyde, and the molecular formula is C13H17BrO3, Category: bromides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Chen, W. published the artcileSynthesis and antifungal evaluation of 1,2,4-triazolo[1,5-α]pyrimidine bearing 1,2,4-triazole heterocycle derivatives, Computed Properties of 76283-09-5, the publication is Asian Journal of Chemistry (2011), 23(2), 602-608, database is CAplus.

Preparation of 28 new 1,2,4-triazolo[1,5-α]pyrimidine derivatives bearing 1,2,4-triazole heterocycle is reported. Structures were characterized by ¹H NMR spectroscopy, mass spectrometry and elemental analyses. With triadimefon, validamycin and carbendazim as pos. controls, the antifungal activities of 28 compounds against Fusarium oxysporum f. sp. vasinfectum, Gibberella sanbinetti, Cercospora beticola Sacc., Physaclospora piricola and Rhizoctonia solani were evaluated. Compound 2-[(5-(2,6-difluorobenzylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methylthio]-5,7-dimethyl[1,2,4]triazolo[1,5-α]pyrimidine (I) showed potent antifungal activities against G. sanbinetti, C. beticola, P. piricola and R. solani. On the basis of the biol. results, structure activity relationships of these compounds were also discussed.

Asian Journal of Chemistry published new progress about 76283-09-5. 76283-09-5 belongs to bromides-buliding-blocks, auxiliary class Fluoride,Bromide,Benzyl bromide,Benzene, name is 4-Bromo-1-(bromomethyl)-2-fluorobenzene, and the molecular formula is C7H5Br2F, Computed Properties of 76283-09-5.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Ma, Hao published the artcileEmulsifying stability and viscosity reduction for heavy crude oil in surfactant-polymer composite system, HPLC of Formula: 143-15-7, the publication is Journal of Molecular Liquids (2022), 119713, database is CAplus.

Heavy crude oil is one of the most precious and complex mol. mixtures available, with considerable economic relevance. Nevertheless, its high viscosity and complicated chem. compositions pose an exceptional challenge for viscosity reduction with a compound emulsification system in heavy oil exploitation. Here, two types of polymers were synthesized and compounded with surfactant SDS to reduce the heavy crude oil viscosity. Their emulsifying properties in demineralized water and mineralized water were measured to evaluate their differences from macroscopic views. Furthermore, the corresponding emulsion system (involving resins, asphaltenes, surfactants, polymers, etc.) was also simulated and computed using mol. dynamics simulation to investigate the relationships of various compositions on emulsifying properties at the mol. scale. The results showed that the surfactant-polymer composite system formed by the amphiphilic polymer had an obvious advantage in emulsifying stability with the water segregation rate of 60.6% after 48 h in the simulated salinity and the viscosity reduction rate reached more than 92.1% after optimization. Besides, the electrostatic interaction is the major part of the potential energy in emulsion systems at a ratio of 87.8%. The divalent cations (Ca²⁺ and Mg²⁺) resulted in the shrinkage or collapse of mol. conformation of the water-soluble polymer by 19%. The variation of interaction energy in salt solutions for different emulsifying systems caused a series of exptl. and simulated distinctions, such as solution viscosity, interface behaviors, the number of hydrogen bonds, and the spatial distribution function, which ultimately determined the emulsifying properties of heavy crude oil. Notably, this work offers insight into the interactions and influences of complex mixtures in oil-water systems. It also facilitates to design and apply the innovative functional chem. additives in heavy crude oil extraction and transportation.

Journal of Molecular Liquids published new progress about 143-15-7. 143-15-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromododecane, and the molecular formula is C12H25Br, HPLC of Formula: 143-15-7.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Zhou, Shengxi published the artcileEnhancing the Performance of Small-Molecule Organic Solar Cells via Fused-Ring Design, Name: 1-Bromooctane, the publication is ACS Applied Materials & Interfaces (2022), 14(5), 7093-7101, database is CAplus and MEDLINE.

Organic solar cells (OSCs) as the promising green energy technol. have drawn much attention in the last two decades. In comparison to polymer solar cells, small-mol. organic solar cells (SMOSCs) have the advantages of precise chem. structure and mol. weight, purification feasibility, batch reproducibility, etc. Despite of the recent advances in mol. design, the efficiencies of SMOSCs are still lagging behind those of polymer-based OSCs. In this work, a new small-mol. donor (SMD) with a fused-ring-connected bridge denoted F-MD has been designed and synthesized. When F-MD was applied into SMOSCs, the F-MD:N3 blends exhibited a power conversion efficiency (PCE) of over 13%, which is much higher than that of the linear π-bridged mol. L-MD based devices (8.12%). Further studies revealed that the fused-ring design promoted the planarity of the mol. conformation and facilitated charge transport in OSCs. More importantly, this strategy also lowered the crystallinity and self-aggregation of the films, and hence optimized the microstructure and phase separation in the corresponding blends. Thereby, the F-MD-based blends have been evidenced to have better exciton dissociation and reduced charge recombination in comparison with the L-MD counterparts, explaining the enhanced PCEs. Our work demonstrates that the fused-ring π-bridge strategy in small-mol.-donor design is an effective pathway to promote the efficiency of SMOSCs as well as enhance the diversity of SMD materials.

ACS Applied Materials & Interfaces published new progress about 111-83-1. 111-83-1 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic hydrocarbon chain, name is 1-Bromooctane, and the molecular formula is C18H22O4, Name: 1-Bromooctane.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary

Gao, Baoxiang published the artcileBand gap tunable for near-infrared absorbing chromophores with multi-triphenylamine and tris (thieno)hexaazatriphenylenes acceptors, HPLC of Formula: 52431-30-8, the publication is Tetrahedron Letters (2010), 51(14), 1919-1921, database is CAplus.

Two disk-like D-A type chromophores with multi-triphenylamine donors and hexaazatriphenylene acceptors were synthesized and fully characterized by ¹H and ¹³C NMR, elemental anal. and mass spectrometry. The effects of the hexaazatriphenylene on the optical and electrochem. properties and band gap of the chromophores were investigated. As the hexaazatriphenylene core fused with three thiophene rings, the band gaps of the compounds could be tuned from 1.65 eV to 1.15 eV. The π-π* absorption peak and charge-transfer absorption peak of the hexaazatriphenylene compounds were red shifted from visible spectrum region (393 and 530 nm) to near-IR spectrum region (542 and 756 nm). In addition, due to an increase in the π electronic coupling between electron donor and electron acceptor, the extinction coefficient (charge-transfer absorption) of the hexaazatriphenylene compound decreases 85% from 3.4 × 10⁴ mol^-1 dm^-3 cm^-1 to 0.5 × 10⁴ mol^-1 dm^-3 cm^-1.

Tetrahedron Letters published new progress about 52431-30-8. 52431-30-8 belongs to bromides-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 2,5-Dibromo-3,4-dinitrothiophene, and the molecular formula is C4Br2N2O4S, HPLC of Formula: 52431-30-8.

Referemce:
https://en.wikipedia.org/wiki/Bromide,
bromide – Wiktionary