Category: 6482-24-2

McNeice, Peter; Vallana, Federico M. F.; Coles, Simon J.; Horton, Peter N.; Marr, Patricia C.; Seddon, Kenneth R.; Marr, Andrew C. published the artcile< Quinine based ionic liquids: A tonic for base instability>, Formula: C3H7BrO, the main research area is quinine ionic liquid catalyst preparation crystal structure; malononitrile benzaldehyde quinine catalyst Knoevenagel condensation.

Six basic ionic liquids were synthesized from the natural mol. quinine, including one room temperature ionic liquid The thermal properties were studied and the basicity analyzed by Hammett measurements. The properties are discussed in relation to the crystal structure of one of the salts, [C4Qn][NTf2] and electron d. models generated using Spartan. The ionic liquids were shown to catalyze the Knoevenagel condensation of malononitrile and benzaldehyde.

Journal of Molecular Liquids published new progress about Crystal structure. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Formula: C3H7BrO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Iijima, Daisuke; Sugama, Hiroshi; Awai, Nobumasa; Takahashi, Yoichi; Togashi, Yuko; Takebe, Tohru; Xie, Jianshu; Shen, Jingkang; Ke, Ying; Akatsuka, Hidenori; Kawaguchi, Takayuki; Takedomi, Kei; Kashima, Akiko; Nishio, Masashi; Inui, Yosuke; Yoneda, Hikaru; Xia, Guangxin; Iijima, Toru published the artcile< Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors>, Electric Literature of 6482-24-2, the main research area is carbamoyl morpholine derivative preparation oral renin inhibitor hypertension.

The renin-angiotensin-aldosterone system (RAAS) plays a key role in the regulation of blood pressure. Renin, the first and rate-limiting enzyme of the RAAS, is an attractive target for the treatment of hypertension and cardiovascular/renal diseases. Therefore, various direct renin inhibitors (DRIs) have been researched over recent decades; however, most exhibited poor pharmacokinetics and oral bioavailability due to the peptidomimetic or nonpeptidomimetic structures with a mol. weight (MW) of >600, and only aliskiren is approved. This study introduces a novel class of DRIs comprised of a 2-carbamoyl morpholine scaffold. These compounds have a nonpeptidomimetic structure and a MW of <500. The representative compound 26 was highly potent despite not occupying S1′-S2′ sites or the opened flap region used by other DRIs and exerted a significant antihypertensive efficacy via oral administration on double transgenic mice carrying both the human angiotensinogen and the human renin genes. ACS Medicinal Chemistry Letters published new progress about Antihypertensives. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Electric Literature of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Chen, Hui; Niu, Zhihui; Ye, Jing; Zhang, Changkun; Zhang, Xiaohong; Zhao, Yu published the artcile< Multicore Ferrocene Derivative as a Highly Soluble Cathode Material for Nonaqueous Redox Flow Batteries>, Application In Synthesis of 6482-24-2, the main research area is redox flow battery ferrocene derivative cathode.

Nonaqueous redox flow batteries (NARFBs) are considered promising electrochem. energy storage systems to overcome the limited electrochem. window of aqueous counterparts. However, the limited solubility of redox-active materials in the nonaqueous phase, for instance, the intensively investigated ferrocene derivatives, needs to be addressed prior to their practical implementation. In this study, we demonstrate the design and synthesis of a multicore ferrocene derivative, 4,4-diferrocenyl-1-(2-methoxy-ethoxy)-pentane (DFDE), as a highly soluble cathode-active material for NARFBs. Owing to the tailored ether chain as well as the synergistic effect of multiple ferrocene cores, DFDE exhibits a high solubility of 4.5 M equivalent electron concentration in an ether-based solvent as well as a more pos. redox potential compared with pristine ferrocene, which are essential to improve the energy d. of NARFBs. Moreover, electrochem. characterizations reveal that DFDE undergoes highly reversible redox reactions with a fast electron-transfer rate constant When paired with N-butyl-phthalimide (BuPh), the cell exhibits a discharge voltage of ca. 1.8 V and stable cycling performance. The use of multicore ferrocene derivatives might represent an effective yet to be explored strategy to overcome the solubility limit of ferrocene-based cathode materials at affordable environmental and ecol. load.

ACS Applied Energy Materials published new progress about Battery cathodes. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Application In Synthesis of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Liu, Wei; Lavagnino, Marissa N.; Gould, Colin A.; Alcazar, Jesus; MacMillan, David W. C. published the artcile< A biomimetic SH2 cross-coupling mechanism for quaternary sp3-carbon formation>, Related Products of 6482-24-2, the main research area is ester alkyl bromide photoredox cross coupling iron.

Bimol. homolytic substitution (SH2) is an open-shell mechanism that is implicated across a host of biochem. alkylation pathways. Surprisingly, however, this radical substitution manifold has not been generally deployed as a design element in synthetic C-C bond formation. Authors found that the SH2 mechanism can be leveraged to enable a biomimetic sp3-sp3 cross-coupling platform that furnishes quaternary sp3-carbon centers, a long-standing challenge in organic mol. construction. This heteroselective radical-radical coupling uses the capacity of iron porphyrin to readily distinguish between the SH2 bond-forming roles of open-shell primary and tertiary carbons, combined with photocatalysis to generate both radical classes simultaneously from widely abundant functional groups. Mechanistic studies confirm the intermediacy of a primary alkyl-Fe(III) species prior to coupling and provide evidence for the SH2 displacement pathway in the critical quaternary sp3-carbon bond formation step.

Science (Washington, DC, United States) published new progress about Bromoalkanes Role: RCT (Reactant), RACT (Reactant or Reagent). 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Related Products of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ahn, Seongmo; Jang, Jin Hyeok; Kang, Jungtaek; Na, Moony; Seo, Jia; Singh, Vikram; Joo, Jung Min; Byon, Hye Ryung published the artcile< Systematic Designs of Dicationic Heteroarylpyridiniums as Negolytes for Nonaqueous Redox Flow Batteries>, COA of Formula: C3H7BrO, the main research area is systematic designs dicationic heteroarylpyridiniums negolytes nonaqueous redox flow battery.

Many organic redox materials are chem. unstable and sparingly soluble in nonaqueous media. Addnl., the crossover of redox materials and the availability of limited membranes have restricted the examination of the long-term cyclability of these materials in nonaqueous redox flow batteries (RFBs). To overcome these limitations, we developed a new class of pyridinium-based negolytes. The π-conjugation structure of the pyridinium mols. was extended by introducing benzothiazole into the C4-position of pyridinium, which improved the stability of these mols. Cationic ammonium functional groups at the N-substituent suppressed the crossover of the pyridinium negolytes through an anion exchange membrane. Furthermore, the solubility of the negolyte was increased up to ~1 M in acetonitrile and 0.3-0.5 M with tetrabutylammonium bis(trifluoromethanesulfonyl)imide (TBATFSI) and acetonitrile. A 0.1 M solution of the dicationic benzothiazolylpyridinium exhibited 0.0083% capacity-fading rate per cycle in sym. RFBs for 250 cycles and 0.08% in full RFBs comprising the ammonium-substituted ferrocene as a posolyte for 500 cycles.

ACS Energy Letters published new progress about Anion exchange membranes. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, COA of Formula: C3H7BrO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Hofmann, Andreas; Rauber, Daniel; Wang, Tzu-Ming; Hempelmann, Rolf; Kay, Christopher W. M.; Hanemann, Thomas published the artcile< Novel Phosphonium-Based Ionic Liquid Electrolytes for Battery Applications>, Computed Properties of 6482-24-2, the main research area is phosphonium ionic liquid electrolyte battery application structure activity relationship; batteries; electrochemistry; ionic liquid; phosphonium.

In this study, we address the fundamental question of the physicochem. and electrochem. properties of phosphonium-based ionic liquids containing the counter-ions bis(trifluoromethanesulfonyl)imide ([TFSI]-) and bis(fluorosulfonyl)imide ([FSI]-). To clarify these structure-property as well as structure-activity relationships, trimethyl-based alkyl- and ether-containing phosphonium ILs were systematically synthesized, and their properties, namely d., flow characteristics, alkali metal compatibility, oxidative stability, aluminum corrosivity as well as their use in Li-ion cells were examined comprehensively. The variable moiety on the phosphonium cation exhibited a chain length of four and five, resp. The properties were discussed as a function of the side chain, counter-ion and salt addition ([Li][TFSI] or [Li][FSI]). High stability coupled with good flow characteristics were found for the phosphonium IL [P1114][TFSI] and the mixture [P1114][TFSI] + [Li][TFSI], resp.

Molecules published new progress about Activation energy. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Computed Properties of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Wu, Xu-Nian; Zhou, Qian; Huang, Ya-Dan; Xie, Xi; Li, Zhe; Wu, Yinuo; Luo, Hai-Bin published the artcile< Structure-based discovery of orally efficient inhibitors via unique interactions with H-pocket of PDE8 for the treatment of vascular dementia>, Application of C3H7BrO, the main research area is phosphodiesterase inhibitor vascular dementia mol modeling; Binding potencies; Free energy prediction; MM-GB/SA; Phosphodiesterase 8 (PDE8); Structure-based drug design; Structure–activity relationship; Vascular dementia.

Our previous study demonstrated that phosphodiesterase 8 (PDE8) could work as a potential target for vascular dementia (VaD) using a chem. probe 3a. However, compound 3a is a chiral compound which was obtained by chiral resolution on HPLC, restricting its usage in clinic. Herein, a series of non-chiral 9-benzyl-2-chloro-adenine derivatives were discovered as novel PDE8 inhibitors. Lead 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine exhibited potent inhibitory activity against PDE8A (IC50 = 11 nmol/L), high selectivity over other PDEs, and remarkable drug-like properties (worthy to mention is that its bioavailability was up to 100%). Oral administration of 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine significantly improved the cAMP level of the right brain and exhibited dose-dependent effects on cognitive improvement in a VaD mouse model. Notably, the X-ray crystal structure of the PDE8A-2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine complex showed that the potent affinity and high selectivity of 2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine might come from the distinctive interactions with H-pocket including T-shaped π-π interactions with Phe785 as well as a unique H-bond network, which have never been observed in other PDE-inhibitor complex before, providing new strategies for the further rational design of novel selective inhibitors against PDE8.

Acta Pharmaceutica Sinica B published new progress about Brain. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Application of C3H7BrO.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Liu, Jin; Qi, Xiaochen; Li, Li; Chang, Ning; Wei, Jie; Fang, Dawei; Zhang, Zhiheng published the artcile< Physical Properties and Its Estimation of Binary Mixtures of Ether-Functionalized Ionic Liquids [C22O1IM][NTF2] with Alcohols>, SDS of cas: 6482-24-2, the main research area is ethylmethoxyethylimidazolium trifluoromethylsulfonylimide ionic liquid mixture alc density viscosity; activation free energy viscous flow ethylmethoxyethylimidazolium trifluoromethylsulfonylimide mixture alc; volumetric property ethylmethoxyethylimidazolium trifluoromethylsulfonylimide ionic liquid mixture alc thermodn.

The binary mixtures composed of 1-ethyl-3-(2-methoxyethyl)-imidazolium bis(trifluoromethylsulfonyl)imide [C22O1IM][NTF2] and alcs. were prepared, and the d. and viscosity were measured first across the entire range of mole fraction within a particular temperature range. Based on the exptl. values of d., the average molar volume, the excess molar volume, and the partial molar volume were calculated, and the excess molar volume was well fitted by Redlich-Kister equation. The excess activation Gibbs energy of viscous flow is obtained by introducing relative volume of mixtures, Vr, combined with the relative viscosity ηr.

Journal of Chemical & Engineering Data published new progress about Binary mixtures, liquid. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, SDS of cas: 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Ding, Decai; Dong, Haiyan; Wang, Chuan published the artcile< Nickel-Catalyzed Asymmetric Domino Ring Opening/Cross-Coupling Reaction of Cyclobutanones via a Reductive Strategy>, Quality Control of 6482-24-2, the main research area is chiral indanone preparation enantioselective; cyclobutanone alkylbromide ring opening tandem coupling reduction nickel catalyst; Catalysis; Organic Reaction; Organic Synthesis.

The successful application of reductive strategy in the asym. domino ring opening/cross-coupling reaction of prochiral cyclobutanones I (R = Me, Et, n-Pr; R1 = H, Me, F, etc.; R2 = H, Me, OCH3) was demonstrated. Under the catalysis of a chiral nickel complex, various aryl iodide-tethered cyclobutanones I were reacted with alkyl bromides R3Br (R3 = 2-methoxyethyl, cyclopentyl, oxan-4-yl, etc.) as the electrophilic coupling partner, providing a variety of chiral indanones II bearing a quaternary stereogenic center in highly enantioselective manner, which can be further converted to diverse benzene-fused cyclic compounds including III, IV, V (X = O, NH). The preliminary mechanistic investigations support a mechanism involving Ni(I)-mediated enantiotopic C-C σ-bond activation of cyclobutanones as key elementary step in the catalytic cycle.

iScience published new progress about Bond activation catalysts (C-C). 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, Quality Control of 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Kakinuma, Shohei; Shirota, Hideaki published the artcile< Femtosecond Raman-Induced Kerr Effect Study of Temperature-Dependent Intermolecular Dynamics in Pyrrolidinium-Based Ionic Liquids: Effects of Anion Species>, HPLC of Formula: 6482-24-2, the main research area is pyrrolidinium ionic liquid intermol dynamics anion RIKES.

We investigated the temperature dependence of the intermol. vibrational dynamics of pyrrolidinium-based ionic liquids (ILs) with 10 different anion species using femtosecond Raman-induced Kerr effect spectroscopy. The features of the temperature-dependent vibrational spectra vary with the different anions. In the case of the ILs with spherical top anions, such as tetrafluoroborate and hexafluorophosphate, and trifluoromethanesulfonate, the spectral intensity in the low-frequency region below 50 cm-1 increases with rising temperature, while that in the high-frequency region above 50 cm-1 remains almost unchanged. Similar temperature-dependent features were also found in the bis(fluorosulfonyl)amide and bis(perfluoroalkylsulfonyl)amide salts. However, the difference spectra at resp. temperature relative to 293 K indicate that the spectra of the bis(fluorosulfonyl)amide and bis(perfluoroalkylsulfonyl)amide salts are more temperature-sensitive in the low-frequency region below 50 cm-1 compared to those of the tetrafluoroborate, hexafluorophosphate, and trifluoromethanesulfonate salts. The spectra of 1-butyl-1-methylpyrrolidinium-based ILs with dicyanamide and tricyanomethide anions show a characteristic temperature dependence; in addition to an increase of the spectral intensity in the low-frequency region below 50 cm-1, a red shift of the spectra in the high-frequency side above 50 cm-1 was observed with increasing temperature This implies that the librational motions of planar dicyanamide and tricyanomethide anions contribute substantially to the low-frequency spectra. We also compared the temperature-dependent low-frequency spectra of 1-butyl-1-methylpyrrolidinium- and 1-(2-methoxyethyl)-1-methylpyrrolidinium-based ILs with some anions. Although the spectral shapes are slightly different in the range of 70-150 cm-1, which can be attributed to the intramol. vibrational modes of the cations, the temperature dependence of the spectral shapes is quite similar, indicating that the ether substitution in the cation side groups has little effects on the temperature dependence of the low-frequency spectra. The fragilities of the ILs were also estimated from the temperature-dependent viscosities and the glass-transition temperatures The fragility parameter seems to be correlated with the temperature dependence of the first moment of the low-frequency spectral bands mainly arising from the intermol. vibrations of the ILs.

Journal of Physical Chemistry B published new progress about Anions. 6482-24-2 belongs to class ethers-buliding-blocks, and the molecular formula is C3H7BrO, HPLC of Formula: 6482-24-2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem