Tag: M.W=150-200

Nhari, Laila M. published the artcilePhenothiazine-based dyes containing imidazole with π-linkers of benzene, furan and thiophene: Synthesis, photophysical, electrochemical and computational investigation, Quality Control of 111-83-1, the publication is Journal of Molecular Structure (2022), 131959, database is CAplus.

Three newly designed phenothiazine-based dyes were synthesized in good yield by introducing 1,4,5-tri-Ph imidazole to phenothiazine skeleton linked to benzene, furan or thiophene π-linkers and connected with cyanoacrylic acid acceptor as the anchoring, resp. UV-vis absorption and fluorescence properties of phenothiazine-based dyes were studied in different solvents. Among π-linkers, furan revealed the highest red shift of absorption, followed by thiophene and benzene. The dyes show intense visible absorption with high molar absorptivity; hence good light-harvesting dyes when used as sensitizers. The cyclic voltammetry data revealed that the HOMO energy levels of phenothiazine-based dyes were 5.36 eV for dye I and 5.42 eV for dyes II and III. Also, the energy LUMO levels of phenothiazine-based dyes were -3.10, -3.21, and -3.26 eV for phenothiazine-based dyes, resp. Such well-matched energy levels of these dyes with those reported sensitizers would pave the way for their use in photovoltaic devices. Furthermore, these dyes were investigated by D. Functional Theory (DFT) and time-dependent TD-DFT to explore their potential as efficient dyes in photovoltaic devices. The geometrical structures, optoelectronic properties and charge transfer of these dyes were investigated. The results indicate that the phenothiazine-based dyes have a small energy gap, absorption in the visible and higher oscillator strength. The modification of Ph, furan and thiophene suggests that these dyes could be effective for dye-sensitized solar cells (DSSCs).

Journal of Molecular Structure 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 C8H17Br, Quality Control of 111-83-1.

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

Chen, Shipeng published the artcileThe remarkable role of hydrogen bond, halogen, and solvent effect on self-healing supramolecular gel, Recommanded Product: 1-Bromooctane, the publication is Materials Today Chemistry (2022), 100719, database is CAplus.

Self-healing supramol. gels of low-mol.-weight (LMW) mols. are smart soft materials; however, the development of self-healing LMW gelator is still a challenging task because of the lack of in-depth studies about self-healing mechanisms of LMW gels and the solvent effect on gel properties. Therefore, herein a different perspective was used to study a family of D-gluconic acetal-based gelators with variable structural fragments in 14 different solvents, and a more detailed understanding of self-assembly and self-healing mechanism of supramol. gels was attained. Based on the critical gelation concentration, phase transition temperature, and rheol. data, A8 bearing an amide group in side chain and two chlorine atoms linked to benzene ring was found to be an outstanding gelator, which could form gels with good self-healing ability in a variety of solvents. Interestingly, A8 gel formed in n-BuOH demonstrates high transparency, good mech. strength, self-supporting behavior, and great self-healing ability from mech. damage. Based on the Fourier transform IR spectroscopy, NMR spectroscopy, XPS, X-ray diffraction, and theor. calculation anal., the self-assembly and self-healing mechanisms of A8 gel were proposed, indicating that a combination of hydrogen bonding and halogen effect was responsible for the efficient self-healing behavior of supramol. gel. Furthermore, the anal. of solvent parameters indicated that the dispersion force of solvent favored gelators to self-assemble, hydrogen bonding donor ability of solvent mainly affected the formation of one-dimensional assembly, and hydrogen bonding receptor ability and polarity of solvent mainly influenced the supramol. interactions among assemblies, significantly intervening the self-healing ability of gels. Overall, this study provides a new perspective to the understanding of gelator structure-property correlation in solvents and sheds light for future development of self-healing supramol. gels.

Materials Today Chemistry 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 C8H17Br, Recommanded Product: 1-Bromooctane.

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

Khudozhitkov, Alexander E. published the artcileHigh-Temperature Quantum Tunneling and Hydrogen Bonding Rearrangements Characterize the Solid-Solid Phase Transitions in a Phosphonium-Based Protic Ionic Liquid, Name: 1-Bromooctane, the publication is Chemistry – A European Journal (2022), 28(23), e202200257, database is CAplus and MEDLINE.

Authors report the complex phase behavior of the glass forming protic ionic liquid (PIL) d3-octylphosphonium bis(trifluoromethylsulfonyl)imide [C₈H₁₇PD₃][NTf₂] by solid-state NMR spectroscopy. Combined line shape and spin relaxation studies of the deuterons in the PD₃ group of the octylphosphonium cation allow to map and correlate the phase behavior for a broad temperature range from 71 K to 343 K. In the solid PIL at 71 K, we observed a static state, characterized by the first deuteron quadrupole coupling constant reported for PD₃ deuterons. A transition enthalpy of about 12 kJ mol^-1 from the static to the mobile state with increasing temperature suggests the breaking of a weak, charge-enhanced hydrogen bond between cation and anion. The highly mobile phase above 100 K exhibits an almost disappearing activation barrier, strongly indicating quantum tunneling. Thus, they provide first evidence of tunneling driven mobility of the hydrogen bonded P-D moieties in the glassy state of PILs, already at surprisingly high temperatures up to 200 K. Above 250 K, the mobile phase turns from anisotropic to isotropic motion, and indicates strong internal rotation of the PD₃ group. The analyzed line shapes and spin relaxation times allow us to link the structural and dynamical behavior at mol. level with the phase behavior beyond the DSC traces.

Chemistry – A European Journal 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 C8H17Br, Name: 1-Bromooctane.

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

Rudler, H. published the artcileTungsten(0) alkylidene complexes stabilized as pyridinium ylides: new aspects of their synthesis and reactivity, Recommanded Product: (2-Bromoethyl)cyclopentane, the publication is Journal of Organometallic Chemistry (2001), 571-587, database is CAplus.

The interaction of dihydropyridines with alkoxycarbene complexes of tungsten has been shown to lead to pyridinium ylide complexes: this transformation has now been applied to the synthesis of a hydroxyl-containing ylide complex by ring-opening of the pentacarbonyl (2-oxacyclopentylidene)tungsten(0) complex and to the synthesis of a series of chiral ylide complexes both from chiral and non-chiral carbene complexes by the use of dihydropyridines and dihydronicotines, resp. The transfer of the alkylidene moiety of these complexes to nucleophilic olefins will be outlined and discussed. Especially relevant is the interaction of these pyridinium ylide complexes with unsaturated substrates such as dihydropyridines, enamines, and β-alkoxy bis(trimethylsilyl) ketene acetals. This latter reaction leads to conjugated carboxylic acids, and has been be applied to a new synthesis of a honey bee pheromone, the queen substance.

Journal of Organometallic Chemistry published new progress about 18928-94-4. 18928-94-4 belongs to bromides-buliding-blocks, auxiliary class Bromide,Aliphatic cyclic hydrocarbon, name is (2-Bromoethyl)cyclopentane, and the molecular formula is C7H13Br, Recommanded Product: (2-Bromoethyl)cyclopentane.

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

Szabo, Gyorgy published the artcileMultiparameter Optimization of Naphthyridine Derivatives as Selective α5-GABA_A Receptor Negative Allosteric Modulators, Name: 2-Bromoethyl Methyl Sulfone, the publication is Journal of Medicinal Chemistry (2022), 65(11), 7876-7895, database is CAplus and MEDLINE.

The discovery and characterization of novel naphthyridine derivatives with selective α5-GABA_AR neg. allosteric modulator (NAM) activity are disclosed. Utilizing a scaffold-hopping strategy, fused [6 + 6] bicyclic scaffolds were designed and synthesized. Among these, 1,6-naphthyridinones were identified as potent and selective α5-GABA_AR NAMs with metabolic stability, cardiac safety, and beneficial intellectual property (IP) issues. Relocation of the oxo acceptor function and subsequent modulation of the physicochem. properties resulted in novel 1,6-naphthyridines with improved profile, combining good potency, selectivity, ADME, and safety properties. Besides this, compound 20 (I), having the most balanced profile, provided in vivo proof of concept (POC) for the new scaffold in two animal models of cognitive impairment associated with schizophrenia (CIAS).

Journal of Medicinal Chemistry published new progress about 16523-02-7. 16523-02-7 belongs to bromides-buliding-blocks, auxiliary class Bromide,Sulfone,Aliphatic hydrocarbon chain, name is 2-Bromoethyl Methyl Sulfone, and the molecular formula is C8H11NO, Name: 2-Bromoethyl Methyl Sulfone.

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

Zeng, Xian-Liang published the artcileNucleophilic monofluoroalkylation with fluorinated phosphonium salt toward carbonyl and imine compounds, SDS of cas: 401-55-8, the publication is Journal of Fluorine Chemistry (2017), 17-23, database is CAplus.

A fluorinated substituent on the pos. phosphorus in phosphonium salt [Ph₃P⁺CF(Me)CO₂Et Br^–] was found to be able to act as a nucleophile to realize monofluoroalkylation of aldehydes, ketones and imines.

Journal of Fluorine Chemistry 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 C15H21BO3, SDS of cas: 401-55-8.

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

Granados, Albert published the artcileFrom Styrenes to Fluorinated Benzyl Bromides: A Photoinduced Difunctionalization via Atom Transfer Radical Addition, Product Details of C4H6BrFO2, the publication is Organic Letters (2022), 24(26), 4750-4755, database is CAplus and MEDLINE.

An operationally simple and practical method is disclosed to achieve the difunctionalization of styrenes RCH=CH₂ (R = Ph, 2-chlorophenyl, 1-benzothiophen-6-yl, etc.), generating fluorinated benzyl bromides RCH(Br)CH₂C(F)(R¹)C(O)R² (R¹ = H, F; R² = OEt, NEt₂) via a photoinduced atom transfer radical addition process. The developed method is mild, atom-economical, and cost-effective, employs very low photocatalyst loading (1000 ppm), and is highly compatible with a broad range of functional groups on styrene. The versatility of the fluorinated benzyl bromides is demonstrated through their derivatization to a variety of valuable compounds

Organic 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 C4H6BrFO2, Product Details of C4H6BrFO2.

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

Kc, Shekhar published the artcileNickel-Catalyzed α-Carbonylalkylarylation of Vinylarenes: Expedient Access to γ,γ-Diarylcarbonyl and Aryltetralone Derivatives, Application In Synthesis of 401-55-8, the publication is Angewandte Chemie, International Edition (2020), 59(21), 8047-8051, database is CAplus and MEDLINE.

The authors report a Ni-catalyzed regioselective α-carbonylalkylarylation of vinylarenes with α-halocarbonyl compounds and arylzinc reagents. The reaction works with primary, secondary, and tertiary α-halocarbonyl mols., and electronically varied arylzinc reagents. The reaction generates γ,γ-diarylcarbonyl derivatives with α-secondary, tertiary, and quaternary carbon centers. The products can be readily converted to aryltetralones, including a precursor to Zoloft, an antidepressant drug.

Angewandte Chemie, International Edition 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 C4H6BrFO2, Application In Synthesis of 401-55-8.

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

Tsagdi, A. published the artcileBlend membranes based on N1-alkyl-substituted imidazolium functionalized polymers and aromatic polyethers: influence of N1-alkyl substituent on properties and alkaline stability, Synthetic Route of 111-83-1, the publication is Polymer Bulletin (Heidelberg, Germany) (2022), 79(3), 1647-1668, database is CAplus.

N1-alkyl (octyl and dodecyl)-substituted imidazolium-based PVBC homopolymers have been synthesized via N-quaternization reaction of N1-alkyl imidazole and PVBC precursor homopolymer bearing reactive benzyl chloride moieties. Due to their poor film forming properties and water solubility, these homopolymers were blended with aromatic polyethers bearing main chain pyridine units at different compositions in order to study the effect of alkyl chain length on morphol., water uptake, swelling ability and chem. stability of the prepared membranes. The B2 blend membrane with the highest N1-dodecyl-substituted imidazolium PVBC content (65 wt%) exhibited the highest water uptake (54%) despite its lower IEC value compared to the corresponding one containing N1-octyl-substituted imidazolium PVBC, low swelling ratio and a phase separated morphol. Evaluation of the chem. stability in 3.6 M KOH solution at 80°C for 7 days revealed the degradation of imidazolium via ring opening, as evidenced by ATR-FT-IR spectroscopy. Therefore, new blends having as second constituent, the N1-alkyl-substituted imidazolium functionalized poly(PVBC-co-AA₂₀) copolymers containing acrylic acid units were fabricated targeting to the improvement of chem. stability via ionic cross linking. The prepared D1 and D2 blend membranes containing 60 and 65 wt% dodecyl-imidazolium functionalized poly(PVBC-co-AA₂₀) copolymer content, resp., were flexible, exhibited moderate IECs (1.47-1.60 meq/g) and sufficient water uptakes (up to 30%). D2 blend membrane showed excellent chem. stability after testing in 3.6 M KOH solution at 80°C for 30 days, as confirmed by ATR-FT-IR spectroscopy and TGA anal. The excellent chem. stability can probably be attributed to the steric hindrance effect of N1 dodecyl substituent which effectively protects the C2 position of imidazolium from hydroxide attack as well as to the formation of a dense, ionic crosslinked structure that hinders hydroxide penetration.

Polymer Bulletin (Heidelberg, Germany) 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 C11H17BO3S, Synthetic Route of 111-83-1.

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

Yuan, Bing published the artcileNickel-Catalyzed Regioselective Reductive Ring Opening of Aryl Cyclopropyl Ketones with Alkyl Bromides, HPLC of Formula: 111-83-1, the publication is ACS Catalysis (2022), 12(8), 4261-4267, database is CAplus.

Herein, the successful implementation of reductive strategy in the ring opening reaction of aryl cyclopropyl ketones with unactivated alkyl bromides was reported for the synthesis of ketones. Under the catalysis of nickel, this reductive Csp³-Csp³ cross-coupling reaction proceeds with complete regioselectivity and bypasses the use of pregenerated organometallics, enabling efficient synthesis of alkylated ketones with high step economy and functionality tolerance.

ACS Catalysis 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 C7H11N, HPLC of Formula: 111-83-1.

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