Tag: M.W=100-150

Tran, Luc-Sy; Carstensen, Hans-Heinrich; Lamoureux, Nathalie; Foo, Kae Ken; Gosselin, Sylvie; El Bakali, Abderrahman; Gasnot, Laurent; Desgroux, Pascale published the artcile< Exploring the Flame Chemistry of C5 Tetrahydrofuranic Biofuels: Tetrahydrofurfuryl Alcohol and 2-Methyltetrahydrofuran>, Name: (Tetrahydrofuran-2-yl)methanol, the main research area is flame chem C5 tetrahydrofuranic biofuels tetrahydrofurfuryl alc Methyltetrahydrofuran.

Recently, the combustion chem. of tetrahydrofurfuryl alc. (THFA), a potential biofuel, was investigated in a stoichiometric 20 mol % THFA/methane co-fueled premixed flame at 5.3 kPa by our group. With regard to this, we continue to further explore the combustion chem. of this biofuel to understand the influence of THFA-doping amounts on the flame chem. of its mixture with methane and the impact of the alc. function of THFA on the product spectrum compared to its non-alc. fuel counterpart, i.e., 2-methyltetrahydrofuran (MTHF). To accomplish the above said objective, a methane flame, a 10% THFA/methane flame, and a 20% MTHF/methane flame were addnl. analyzed at similar conditions using gas chromatog. for quant. species detection and NO laser-induced fluorescence thermometry. More than 40 species (reactants, CO, CO2, H2O, H2, and about 14 hydrocarbons as well as 26 oxygenated intermediates up to 5 carbon atoms) were quantified for each doped biofuel flame. The product distributions and consumption pathways of THFA are similar for the 10 and 20% THFA-doped flames. The maximum yields of most products increase linearly with the amount of doped THFA. However, some species do not follow this trend, indicating interaction chem. between methane and THFA, which is found to be mainly caused by the reaction of the Me radical. The difference in the chem. structure in THFA and MTHF has no notable impact on the mole fractions of CO, CO2, H2O, and H2, but significant differences exist for the yields of intermediate species. The doped THFA flame produces more aldehydes, alcs., and ethers but forms clearly less ketones and hydrocarbons. A slightly upgraded version of our previous kinetic model reproduces most exptl. data well and is able to explain the observed differences in intermediate production

Energy & Fuelspublished new progress about Alcohols Role: PRP (Properties), TEM (Technical or Engineered Material Use), USES (Uses). 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Name: (Tetrahydrofuran-2-yl)methanol.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Rodina, Liudmila L.; Galkina, Olesia S.; Maas, Gerhard; Platz, Matthew S.; Nikolaev, Valerij A. published the artcile< A New Method for C-H Functionalization of Aliphatic Compounds by an Unusual Photochemical Reaction of Diazoketones without Elimination of Nitrogen>, Reference of 5455-94-7, the main research area is diazotetrahydrofuranone aliphatic compound Wolff rearrangement photochem; hydrazone diazotetrahydrofuranyl preparation; aliphatic compound diazotetrahydrofuranone Wolff rearrangement photochem; bisfuranylhydrazonoethane preparation.

Benzophenone-sensitized reactions of 4-diazotetrahydrofuran-3(2H)-ones with H-donors such as THF, 1,4-dioxane, cyclohexane and di-Et ether, occur without elimination of nitrogen and give rise to the corresponding N-substituted hydrazones or bis-hydrazonoethanes due to a formal insertion of the terminal N atom of diazo group into α-C-H bonds of ethers and aliphatic hydrocarbons, with yields of up to 78 %. Long-wavelength UV irradiation (λ>310 nm) was most suitable for this process, whereas oxygen mols. adequately quench the triplet excited state of the diazoketone and reduce the preparative yields of C-H-insertion products. Hence this photochem. reaction of diazoketones could be used for C-H functionalization of different aliphatic compounds

Asian Journal of Organic Chemistrypublished new progress about Aliphatic hydrocarbons Role: RCT (Reactant), RACT (Reactant or Reagent). 5455-94-7 belongs to class tetrahydrofurans, and the molecular formula is C8H14O2, Reference of 5455-94-7.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Mehdi Ghahremanpour, Mohammad; van der Spoel, David published the artcile< Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields>, Safety of (Tetrahydrofuran-2-yl)methanol, the main research area is IR spectrum similarity force field database.

IR spectroscopy can provide significant insight into the structures and dynamics of mols. of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theor. calculations or simulations. We present here the calculation of the IR spectra of a database of 703 gas phase compounds with four different force fields (CGenFF, GAFF-BCC, GAFF-ESP, and OPLS) using normal-mode anal. Modern force fields increasingly use virtual sites to describe, e.g., lone-pair electrons or the σ-holes on halogen atoms. This requires some adaptation of code to perform normal-mode anal. of such compounds,the implementation of which into the GROMACS software is briefly described as well. For the quant. comparison of the obtained spectra with exptl. reference data, we discuss the application of two different statistical correlation coefficients, Pearson and Spearman. The advantages and drawbacks of the different methods of comparison are discussed, and we find that both methods of comparison give the same overall picture, showing that present force field methods cannot match the performance of quantum chem. methods for the calculation of IR spectra.

Journal of Chemical Theory and Computationpublished new progress about Alcohols Role: PRP (Properties). 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, Safety of (Tetrahydrofuran-2-yl)methanol.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Zhang, Lin; Badea, Beth Ann; Enyeart, Debra; Berger, Elaine M.; Mais, Dale E.; Boehm, Marcus F. published the artcile< Synthesis of isotopically labeled 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid (LGD1069), a potent retinoid X receptor-selective Ligand>, Electric Literature of 5455-94-7, the main research area is isotopically labeled retinoid preparation binding receptor; benzoic acid naphthylethenyl preparation binding receptor; naphthylethenylbenzoic acid preparation binding receptor.

LGD1069, 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethenyl]benzoic acid, is the first retinoid X receptor (RXR)-selective retinoid to enter clin. trials for treatment of dermatol. diseases and cancer. In order to exam. biol. properties such as receptor binding, metabolism and bioavailability, [13C]-, [14C]-, and [3H]-labeled LGD1069 is required. Herein, the authors describe synthetic methods for preparing isotopically labeled homologs of LGD1069 and [3H]-9-cis-retinoic acid with RXR active retinoids. The final radiolabeled products, [6,7-3H]-LGD1069 and 3-[14C]-LGD1069 have specific activities of 56 Ci/mmol and 49 mCi/mmol, resp. Radiochem. purities are 99.5% for [6,7-3H]-LGD1069 and 99.0% for 3-[14C]-LGD1069. The chem. purity is 99.0% for 3-[13CD3]-LGD1069. Competition binding studies with known retinoids show similar Kd values when either [6,7-32H]-LGD1069 or [3H]-9-cis-retinoic acid as the radioligand.

Journal of Labelled Compounds & Radiopharmaceuticalspublished new progress about Receptors Role: BSU (Biological Study, Unclassified), BUU (Biological Use, Unclassified), BIOL (Biological Study), USES (Uses). 5455-94-7 belongs to class tetrahydrofurans, and the molecular formula is C8H14O2, Electric Literature of 5455-94-7.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Kumar, Abhinav; Srivastava, Rajendra published the artcile< Pd-Decorated Magnetic Spinels for Selective Catalytic Reduction of Furfural: Interplay of a Framework-Substituted Transition Metal and Solvent in Selective Reduction>, SDS of cas: 97-99-4, the main research area is selective reduction furfural palladium magnetic spinel.

The reduction of functional platform chems., such as furfural, to industrially important chems. and fuel requires precise modulation of surface reactivity of the catalyst to obtain the desired reactivity and selectivity. In this study, the selective reduction of furfural (FAL) to furfuryl alc. (FOL) and tetrahydrofurfuryl alc. (THFA) is achieved by the transition metal interplay in the framework structure of magnetic spinels Fe3O4 and by modulating the reaction medium. Herein, FAL is selectively and quant. reduced to FOL in water at very mild reaction conditions over Pd-decorated CuFe2O4, whereas FAL is selectively converted to THFA in hexane at mild reaction conditions over Pd-decorated NiFe2O4, using H2 as an economical reducing agent. The Pd loading, reaction temperature, H2 pressure, and reaction time are minimized to obtain the best selectivity toward THFA. Different modes of FAL adsorption occur on CuFe2O4 and NiFe2O4 surfaces. Dissociative adsorption of H2 occurs on Pd sites to form Pd-H species, followed by transfer hydrogenation from Pd-H to FAL adsorbed on spinels, leading to the formation of FOL or THFA. Efficient magnetic recyclability and the hot filtration test show that the catalyst exhibits no significant loss in the activity even after five recycles. Catalysts exhibit very high activity, selectivity, and low activation energy, which are very attractive for academic and industrial points of view.

ACS Applied Energy Materialspublished new progress about Activation energy. 97-99-4 belongs to class tetrahydrofurans, and the molecular formula is C5H10O2, SDS of cas: 97-99-4.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem

Chuseang, Jirawat; Nakwachara, Rapeepong; Kalong, Munsuree; Ratchahat, Sakhon; Koo-amornpattana, Wanida; Klysubun, Wantana; Khemthong, Pongtanawat; Faungnawakij, Kajornsak; Assabumrungrat, Suttichai; Itthibenchapong, Vorranutch; Srifa, Atthapon team published the artcile< Selective hydrogenolysis of furfural into fuel-additive 2-methylfuran over a rhenium-promoted copper catalyst>, the main research area is furfural hydrogenation methylfuran rhenium copper catalyst phys chem property. Name: (Tetrahydrofuran-2-yl)methanol.

The effect of Re promoter on Cu/γ-Al2O3 catalysts with various Cu : Re molar ratios was comprehensively investigated in comparison to the monometallic Cu/γ-Al2O3 and Re/γ-Al2O3 catalysts. The combination of Re and Cu resulted in a difficulty in reduction behavior of the Cu species, as detected using hydrogen temperature-programmed reduction, indicating that the Re promoter had stronger metal-support interactions. The acidity, as confirmed by ammonia temperature-programmed desorption, increased with the Re loading. X-ray diffraction and X-ray absorption near edge structure measurements of the spent CuRe catalyst revealed the existence of metallic Cu, Cu2O, CuO, amorphous CuAl2O4, ReO3, and NH4ReO4. The as-synthesized catalysts without reduction were directly utilized for the hydrogenolysis of furfural (FAL) into the fuel additive 2-methylfuran (2-MF). The highest 2-MF yield (86.4%) was accompanied by a 10.4% 2-methyltetrahydrofuran (2-MTHF) yield using the optimal Cu1Re0.14 catalyst under the investigated conditions (200°C, 6 h, and 20 bar H2). The kinetic study using furfuryl alc. (FOL), a primary intermediate, revealed that the rate of 2-MF production for the optimal Cu1Re0.14 catalyst was faster than that of the Cu benchmark. These results indicated that a small amount of oxophilic Re species could promote the hydrogenolysis of the C-OH bond in FOL to form 2-MF due to the synergistic effect between the Cu and Re active species. In addition, the activity of the Cu1Re0.14 catalyst remained highly stable through four consecutive experiments

Sustainable Energy & Fuelspublished new progress about Adsorption; Crystallinity; Hydrogenation; Hydrogenation catalysts; Hydrogenation kinetics; Surface area; Surface structure; Thermal polymer degradation. 97-99-4 belongs to class tetrahydrofurans and the molecular formula is C5H10O2, Tetrahydrofuran – Wikipedia.

Referemce:
Tetrahydrofuran – Wikipedia,
Tetrahydrofuran | (CH2)3CH2O – PubChem