Tag: M.W=100-150

Li, Xinsheng published the artcileCatalytic Conversion of Tetrahydrofurfuryl Alcohol over Stable Pt/MoS₂ Catalysts, Application In Synthesis of 111-29-5, the publication is Catalysis Letters (2021), 151(9), 2734-2747, database is CAplus.

MoS₂ supported noble metal catalysts were used for the catalytic conversion of terahydrofurfuryl alc. (THFA) to 1,5-pentanediol (1,5-PDO) and its derivate tetrahydropyrane (THP). Over the optimal 4%Pt/MoS₂-FR catalyst, 75.8% overall selectivity (35.4% to 1,5-PDO and 40.4% to THP) and 63.7% conversion of 5 wt% THFA solution were obtained after 8 h reaction at 250°C. The catalyst showed stable catalytic performance in five-cycle reactions, demonstrating the robustness of Pt/MoS₂ under the harsh hydrothermal and hydrogenation conditions. A variety of characterizations, including CO-DRIFTS, HRTEM, H₂-TPR, Raman spectroscopy and XPS revealed that typical behavior of strong metal-support interaction (SMSI) existed between Pt and MoS₂, largely caused by the coverage of MoS₂ over Pt and rarely reported previously. The Pt/MoS₂ had intact structure under the harsh conditions thanks to the SMSI and chem. stability of MoS₂. The acidity of Pt/MoS₂ was negligible, and the active sites for the reaction were attributed to Pt and the Mo sites interacting closely on the catalysts. The reaction pathway was proposed according to the product distributions and the results of conditional experiments

Catalysis Letters published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C5H12O2, Application In Synthesis of 111-29-5.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Papadimitriou, Vassileios C. published the artcileKinetic Study of the Reactions of Cl Atoms with CF₃CH₂CH₂OH, CF₃CF₂CH₂OH, CHF₂CF₂CH₂OH, and CF₃CHFCF₂CH₂OH, Computed Properties of 2240-88-2, the publication is Journal of Physical Chemistry A (2007), 111(45), 11608-11617, database is CAplus and MEDLINE.

The reaction kinetics of chlorine atoms with a series of partially fluorinated straight-chain alcs., CF₃CH₂CH₂OH (1), CF₃CF₂CH₂OH (2), CHF₂CF₂CH₂OH (3), and CF₃CHFCF₂CH₂OH (4), were studied in the gas phase over the temperature range of 273-363 K by using very low-pressure reactor mass spectrometry. The absolute rate coefficients were given by the expressions (in cm³ mol.^-1 s^-1): k₁ = (4.42 ± 0.48) × 10^-11 exp(-255 ± 20/T); k₁(303) = (1.90 ± 0.17) × 10^-11, k₂ = (2.23 ± 0.31) × 10^-11 exp(-1065 ± 106/ T); k₂(303) = (6.78 ± 0.63) × 10^-13, k₃ = (8.51 ± 0.62) × 10^-12 exp(-681 ± 72/T); k₃(303) = (9.00 ± 0.82) × 10^-13 and k₄ = (6.18 ± 0.84) × 10^-12 exp(-736 ± 42/T); k₄(303) = (5.36 ± 0.51) × 10^-13. The quoted 2σ uncertainties include the systematic errors. All title reactions proceed via a hydrogen atom metathesis mechanism leading to HCl. Moreover, the oxidation of the primarily produced radicals was investigated, and the end products were the corresponding aldehydes (R_F-CHO; R_F = -CH₂CF₃, -CF₂CF₃, -CF₂CHF₂, and -CF₂CHFCF₃), providing a strong exptl. indication that the primary reactions proceed mainly via the abstraction of a methylenic hydrogen adjacent to a hydroxyl group. Finally, the bond strengths and ionization potentials for the title compounds were determined by d. functional theory calculations, which also suggest that the α-methylenic hydrogen is mainly under abstraction by Cl atoms. The correlation of room-temperature rate coefficients with ionization potentials for a set of 27 mols., comprising fluorinated C2-C5 ethers and C2-C4 alcs., is good with an average deviation of a factor of 2, and is given by the expression log(k) (in cm³ mol.^-1 s^-1) = (5.8 ± 1.4) – (1.56 ± 0.13) × (ionization potential (in eV)).

Journal of Physical Chemistry A published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Computed Properties of 2240-88-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Mushtaq, Umair published the artcileHigh-Yield Production of Deoxygenated Monomers from Kraft Lignin over ZnO-Co/N-CNTs in Water, HPLC of Formula: 645-56-7, the publication is ACS Sustainable Chemistry & Engineering (2021), 9(8), 3232-3245, database is CAplus.

Catalytic conversion of tech. lignin to value-added chems. and fuels is important for realizing economically viable lignocellulosic biomass refineries. The choice of catalysts and solvents is critical for the effective conversion of the tech. lignin to chems. and fuels by the cleavage of the C-C bonds. In this study, catalytic depolymerization and hydrodeoxygenation of Kraft lignin (KL) were investigated over bimetallic ZnO and Co deposited on N-doped carbon nanotubes (ZnO-Co/N-CNTs) in an aqueous medium. The catalytic activity of ZnO-Co/N-CNTs was compared with those of various noble and non-noble metal-based catalysts. Almost complete KL conversion with a very low solid residue yield (5 wt %), a high bio-oil yield (52 wt %), a high degree of deoxygenation (DOD, 59.0%), and a high monomeric yield (12.1 wt %) was achieved over ZnO-Co/N-CNTs at 350°C and 6 h reaction time. The monomers mainly consisted of cyclohexanone and its alkyl-substituted derivatives and alkylated phenols. At 400°C, the monomeric yield and DOD increased to 24.4 wt %and 61.0%, resp. In addition, the produced bio-oil exhibited high-calorific values of 34.3-37.0 MJ kg^-1 because of the high activity of ZnO-Co/N-CNTs for hydrodeoxygenation. ZnO-Co/N-CNTs outperformed most of the metal-supported catalysts including 5 wt % Pd, 5 wt % Ru, 5 wt % Pt, 66 wt % Ni, and CoMo on various supports of activated carbon and alumina. The use of water as the solvent resulted in much higher bio-oil and monomeric yields than those using methanol, iso-Pr alc., and n-hexane (12-37 and 3.2-4.1 wt %, resp.). The high bio-oil and monomeric yields with a high DOD in water make ZnO-Co/N-CNTs highly attractive in the development of an environmentally friendly tech. lignin conversion process.

ACS Sustainable Chemistry & Engineering published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H12O, HPLC of Formula: 645-56-7.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Vendina, Ineta published the artcileo-Directed lithiation of acylated hydroxythiophenes, Recommanded Product: Thiophen-3-ol, the publication is Heterocycles (2014), 88(2), 1565-1572, database is CAplus.

O-Carbamates derived from 2-hydroxy- and 3-hydroxy-thiophenes generated o-directed carbanions, which were transformed to the corresponding Me sulfides and Me and trimethylsilyl substituted thiophenes I and II (R = SMe, Me, SiMe₃).

Heterocycles published new progress about 17236-59-8. 17236-59-8 belongs to alcohols-buliding-blocks, auxiliary class Thiophene,Alcohol, name is Thiophen-3-ol, and the molecular formula is C9H8BClN2O2, Recommanded Product: Thiophen-3-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Galman, James L. published the artcileOne-Pot Biocatalytic In Vivo Methylation-Hydroamination of Bioderived Lignin Monomers to Generate a Key Precursor to L-DOPA, Category: alcohols-buliding-blocks, the publication is Angewandte Chemie, International Edition (2022), 61(8), e202112855, database is CAplus and MEDLINE.

Electron-rich phenolic substrates can be derived from the depolymerization of lignin feedstocks. Direct biotransformations of the hydroxycinnamic acid monomers obtained can be exploited to produce high-value chems., such as α-amino acids, however the reaction is often hampered by the chem. autoxidation in alk. or harsh reaction media. Regioselective O-methyltransferases (OMTs) are ubiquitous enzymes in natural secondary metabolic pathways utilizing an expensive co-substrate S-adenosyl-L-methionine (SAM) as the methylating reagent altering the physicochem. properties of the hydroxycinnamic acids. In this study, we engineered an OMT to accept a variety of electron-rich phenolic substrates, modified a com. E. coli strain BL21 (DE3) to regenerate SAM in vivo, and combined it with an engineered ammonia lyase to partake in a one-pot, two whole cell enzyme cascade to produce the L-DOPA precursor L-veratrylglycine from lignin-derived ferulic acid.

Angewandte Chemie, International Edition published new progress about 645-56-7. 645-56-7 belongs to alcohols-buliding-blocks, auxiliary class Liquid Crystal &OLED Materials, name is 4-Propylphenol, and the molecular formula is C9H12O, Category: alcohols-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Ferguson published the artcileCharacterization of the Unimolecular Water Elimination Reaction from 1-Propanol, 3,3,3-Propan-1-ol-d₃, 3,3,3-Trifluoropropan-1-ol, and 3-Chloropropan-1-ol, Name: 3,3,3-Trifluoropropan-1-ol, the publication is Journal of Physical Chemistry A (2009), 113(37), 10013-10023, database is CAplus and MEDLINE.

The unimol. reactions of 1-propanol, 3,3,3-propan-1-ol-d₃, 3,3,3-trifluoropropan-1-ol, and 3-chloropropan-1-ol have been studied by the chem. activation technique. The recombination of CH₃, CD₃, CF₃, and CH₂Cl radicals with CH₂CH₂OH radicals at room temperature was used to generate vibrationally excited CH₃CH₂CH₂OH, CD₃CH₂CH₂OH, CF₃CH₂CH₂OH, and CH₂ClCH₂CH₂OH mols. The principal unimol. reaction for propanol and propanol-d₃ with 90 kcal mol^-1 of vibrational energy is 1,2-H₂O elimination with rate constants of 3.4 × 10⁵ and 1.4 × 10⁵ s^-1, resp. For CH₂ClCH₂CH₂OH also with 90 kcal mol^-1 of energy, 2,3-HCl elimination with a rate constant of 3.0 × 10⁷ s^-1 is more important than 1,2-H₂O elimination; the branching fractions are 0.95 and 0.05. For CF₃CH₂CH₂OH with an energy of 102 kcal mol^-1, 1,2-H₂O elimination has a rate constant of 7.9 × 10⁵ and 2,3-HF elimination has a rate constant of 2.6 × 10⁵ s^-1. D. functional theory was used to obtain models for the mols. and their transition states. The frequencies and moments of inertia from these models were used to calculate RRKM rate constants, which were used to assign threshold energies by comparing calculated and exptl. rate constants This comparison gives the threshold energy for H₂O elimination from 1-propanol as 64 kcal mol^-1. The threshold energies for 1,2-H₂O and 2,3-HCl elimination from CH₂ClCH₂CH₂OH were 59 and 54 kcal mol^-1, resp. The threshold energies for H₂O and HF elimination from CF₃CH₂CH₂OH are 62 and 70 kcal mol^-1, resp. The structures of the transition states for elimination of HF, HCl, and H₂O are compared.

Journal of Physical Chemistry A published new progress about 2240-88-2. 2240-88-2 belongs to alcohols-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol, name is 3,3,3-Trifluoropropan-1-ol, and the molecular formula is C3H5F3O, Name: 3,3,3-Trifluoropropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Wolosz, Dominik published the artcileEnvironmentally Friendly Synthesis of Urea-Free Poly(carbonate-urethane) Elastomers, COA of Formula: C5H12O2, the publication is Macromolecules (Washington, DC, United States) (2022), 55(12), 4995-5008, database is CAplus.

This work presents an eco-friendly synthetic pathway toward non-isocyanate poly(carbonate-urethane)s (NIPCUs) obtained from carbon dioxide and its simple derivatives-organic carbonates. Bis(hydroxyalkyl carbamate)s synthesized from ethylene carbonate and appropriate α,ω-diamines were used as polyurethane hard segment precursors while oligocarbonate diols as soft segment ones. The structures and properties of the obtained NIPCUs were explored by means of ¹H NMR, ¹³C NMR, and FT-IR spectroscopies, MALDI-ToF mass spectrometry, DSC, and mech. testing. Based on spectroscopic data as well as model reactions, it was demonstrated that the formation of the urea bonds was suppressed due to the presence of carbonate moieties. The reaction of urea bonds with carbonate residues led to urethane group formation. In addition, the influence of the polyurethane structure on the mech. and thermal properties of the obtained polymers was studied. The obtained NIPCUs exhibited mech. properties comparable to conventional polyurethane elastomers (e.g., a tensile strength of 32 MPa and an elongation at break of 800%). The described synthetic route is an straightforward way toward the replacement of conventional polyurethanes with environmentally friendly ones.

Macromolecules (Washington, DC, United States) published new progress about 111-29-5. 111-29-5 belongs to alcohols-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ploymers, name is Pentane-1,5-diol, and the molecular formula is C7H13BrSi, COA of Formula: C5H12O2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Lyle, Steven J. published the artcileMultistep Solid-State Organic Synthesis of Carbamate-Linked Covalent Organic Frameworks, COA of Formula: C6H13BO3, the publication is Journal of the American Chemical Society (2019), 141(28), 11253-11258, database is CAplus and MEDLINE.

Herein, we demonstrate the first example of a multi-step solid-state organic synthesis, in which a new imine-linked two-dimensional covalent organic framework (COF-170, 1) was transformed through three consecutive postsynthetic modifications into porous, crystalline cyclic carbamate and thiocarbamate-linked frameworks. These linkages are previously unreported and inaccessible through de novo synthesis. While not altering the overall connectivity of the framework, these chem. transformations induce significant conformational and structural changes at each step, highlighting the key importance of noncovalent interactions and conformational flexibility to COF crystallinity and porosity. These transformations were assessed using ¹⁵N multi-CP-MAS NMR spectroscopy, providing the first quantitation of yields in COF postsynthetic modification reactions, as well as of amine defect sites in imine-linked COFs. This multi-step COF linkage postsynthetic modification represents a significant step toward bringing the precision of organic solution-phase synthesis to extended solid-state compounds

Journal of the American Chemical Society published new progress about 25240-59-9. 25240-59-9 belongs to alcohols-buliding-blocks, auxiliary class Boronic acid and ester,Boronic Acids,Boronate Esters, name is 4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-ol, and the molecular formula is C6H13BO3, COA of Formula: C6H13BO3.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Chamorro-Arenas, Delfino published the artcileSelective, Catalytic, and Dual C(sp³)-H Oxidation of Piperazines and Morpholines under Transition-Metal-Free Conditions, Application In Synthesis of 622-40-2, the publication is Journal of Organic Chemistry (2018), 83(24), 15333-15346, database is CAplus and MEDLINE.

By using cheap and innocuous reagents, such as NaClO₂, NaOCl, and catalytic amounts of TEMPO, a new environmentally friendly protocol for the selective and catalytic TEMPO C(sp³)-H oxidation of piperazines and morpholines to 2,3-diketopiperazines (2,3-DKP) and 3-morpholinones (3-MPs), resp., has been developed. This novel direct access to 2,3-DKP from piperazines provides significant advantages over the traditional N-monoacylation/intramol. C-N cyclization procedure. Addnl., by modulating the amounts of TEMPO, 2-alkoxyamino-3-morpholinone can be prepared from morpholine derivatives, which would enable further functionalization at the C2 position of the morpholine skeleton.

Journal of Organic Chemistry published new progress about 622-40-2. 622-40-2 belongs to alcohols-buliding-blocks, auxiliary class Morpholine,Alcohol, name is 2-Morpholinoethanol, and the molecular formula is C6H13NO2, Application In Synthesis of 622-40-2.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts

Eitzinger, Andreas published the artcileEnantioselective Bifunctional Ammonium Salt-Catalyzed Syntheses of 3-CF₃S-, 3-RS-, and 3-F-Substituted Isoindolinones, COA of Formula: C8H10S, the publication is Advanced Synthesis & Catalysis (2021), 363(7), 1955-1962, database is CAplus and MEDLINE.

Herein, ammonium salt-catalyzed synthesis of chiral 3,3-disubstituted isoindolinones, e.g., I bearing a heteroatom functionality in the 3-position was reported. A broad variety of differently substituted CF₃S- and RS-derivatives were obtained with often high enantioselectivities when using Maruoka’s bifunctional chiral ammonium salt catalyst. In addition, a first proof-of-concept for the racemic synthesis of the analogous F-containing products was obtained as well, giving access to one of the rare examples of a fairly stable α-F-α-amino acid derivative

Advanced Synthesis & Catalysis published new progress about 4410-99-5. 4410-99-5 belongs to alcohols-buliding-blocks, auxiliary class Thiol,Benzene, name is 2-Phenylethanethiol, and the molecular formula is C8H10S, COA of Formula: C8H10S.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts