Tag: M.W=50-100

Liu, Jin published the artcileA Comparison of Acetyl- and Methoxycarbonylnitrenes by Computational Methods and a Laser Flash Photolysis Study of Benzoylnitrene, SDS of cas: 16332-06-2, the publication is Journal of Organic Chemistry (2004), 69(25), 8583-8593, database is CAplus and MEDLINE.

D. functional theory (DFT), CCSD(T), and CBS-QB3 calculations were performed to understand the chem. and reactivity differences between acetylnitrene (CH₃C(:O)N) and methoxycarbonylnitrene (CH₃OC(:O)N) and related compounds CBS-QB3 theory alone correctly predicts that acetylnitrene has a singlet ground state. We agree with previous studies that there is a substantial N-O interaction in singlet acetylnitrene and find a corresponding but weaker interaction in methoxycarbonylnitrene. Methoxycarbonylnitrene has a triplet ground state because the oxygen atom stabilizes the triplet state of the carbonyl nitrene more than the corresponding singlet state. The oxygen atom also stabilizes the transition state of the Curtius rearrangement and accelerates the isomerization of methoxycarbonylnitrene relative to acetylnitrene. Acetyl azide is calculated to decompose by concerted migration of the Me group along with nitrogen extrusion; the free energy of activation for this concerted process is only 27 kcal/mol, and a free nitrene is not produced upon pyrolysis of acetyl azide. Methoxycarbonyl azide, on the other hand, does have a preference for stepwise Curtius rearrangement via the free nitrene. The bimol. reactions of acetylnitrene and methoxycarbonylnitrene with propane, ethylene, and methanol were calculated and found to have enthalpic barriers that are near zero and free energy barriers that are controlled by entropy. These predictions were tested by laser flash photolysis studies of benzoyl azide. The absolute bimol. reaction rate constants of benzoylnitrene were measured with the following substrates: acetonitrile (k = 3.4 × 10⁵ M^-1 s^-1), methanol (6.5 × 10⁶ M^-1 s^-1), water (4.0 × 10⁶ M^-1 s^-1), cyclohexane (1.8 × 10⁵ M^-1 s^-1), and several representative alkenes. The activation energy for the reaction of benzoylnitrene with 1-hexene is -0.06 ± 0.001 kcal/mol. The activation energy for the decay of benzoylnitrene in pentane is -3.20 ± 0.02 kcal/mol. The latter results indicate that the rates of reactions of benzoylnitrene are controlled by entropic factors in a manner reminiscent of singlet carbene processes.

Journal of Organic Chemistry published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, SDS of cas: 16332-06-2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Zuend, A. published the artcileNew and extended parameterization of the thermodynamic model AIOMFAC: calculation of activity coefficients for organic-inorganic mixtures containing carboxyl, hydroxyl, carbonyl, ether, ester, alkenyl, alkyl, and aromatic functional groups, Synthetic Route of 1589-47-5, the publication is Atmospheric Chemistry and Physics (2011), 11(17), 9155-9206, database is CAplus.

We present a new and considerably extended parameterization of the thermodn. activity coefficient model AIOMFAC (Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients) at room temperature AIOMFAC combines a Pitzer-like electrolyte solution model with a UNIFAC-based group-contribution approach and explicitly accounts for interactions between organic functional groups and inorganic ions. Such interactions constitute the salt-effect, may cause liquid-liquid phase separation, and affect the gas-particle partitioning of aerosols. The previous AIOMFAC version was parameterized for alkyl and hydroxyl functional groups of alcs. and polyols. With the goal to describe a wide variety of organic compounds found in atm. aerosols, we extend here the parameterization of AIOMFAC to include the functional groups carboxyl, hydroxyl, ketone, aldehyde, ether, ester, alkenyl, alkyl, aromatic carbon-alc., and aromatic hydrocarbon. Thermodn. equilibrium data of organic-inorganic systems from the literature are critically assessed and complemented with new measurements to establish a comprehensive database. The database is used to determine simultaneously the AIOMFAC parameters describing interactions of organic functional groups with the ions H⁺, Li⁺, Na⁺, K⁺, NH⁺₄, Mg²⁺, Ca²⁺, Cl^–, Br^–, NO^–₃, HSO^–₄, and SO^2-₄. Detailed descriptions of different types of thermodn. data, such as vapor-liquid, solid-liquid, and liquid-liquid equilibrium, and their use for the model parameterization are provided. Issues regarding deficiencies of the database, types and uncertainties of exptl. data, and limitations of the model, are discussed. The challenging parameter optimization problem is solved with a novel combination of powerful global minimization algorithms. A number of exemplary calculations for systems containing atmospherically relevant aerosol components are shown. Amongst others, we discuss aqueous mixtures of ammonium sulfate with dicarboxylic acids and with levoglucosan. Overall, the new parameterization of AIOMFAC agrees well with a large number of exptl. datasets. However, due to various reasons, for certain mixtures important deviations can occur. The new parameterization makes AIOMFAC a versatile thermodn. tool. It enables the calculation of activity coefficients of thousands of different organic compounds in organic-inorganic mixtures of numerous components. Models based on AIOMFAC can be used to compute deliquescence relative humidities, liquid-liquid phase separations, and gas-particle partitioning of multicomponent mixtures of relevance for atm. chem. or in other scientific fields.

Atmospheric Chemistry and Physics published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C3H8N2S, Synthetic Route of 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Timofeeva, Maria N. published the artcileZeolitic Imidazolate Frameworks ZIF-8 and MAF-5 as Highly Efficient Heterogeneous Catalysts for Synthesis of 1-Methoxy-2-propanol from Methanol and Propylene Oxide, Application In Synthesis of 1589-47-5, the publication is Industrial & Engineering Chemistry Research (2019), 58(25), 10750-10758, database is CAplus.

Herein, we demonstrated that zinc zeolitic imidazolate frameworks (ZIFs) based on 2-methylimidazole (ZIF-8) and 2-ethylimidazole (MAF-5 or ZIF-14) linkers could be used as effective heterogeneous catalysts for catalytic synthesis of 1-methoxy-2-propanol (1-MP) that is widely used in industry due to its negligible toxicity as an ecofriendly solvent and as an intermediate for the synthesis of different chems. Application of these materials decreased the reaction temperature to 110 °C. 1-MP was found to be the major product, with 92.1-93.8% selectivity. The activity of MAF-5 was higher than that of ZIF-8. This difference can be explained by the high basicity of MAF-5. MAF-5 and ZIF-8 materials showed good reusability for 5 cycles in catalysis, which indicates their high potential for catalytic applications. Compared with reported catalysts, the studied ZIFs, especially MAF-5, showed not only the highest conversion of PO but also the highest selectivity for 1-MP under similar reaction conditions.

Industrial & Engineering Chemistry Research published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C8H8O3, Application In Synthesis of 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Chen, Xi published the artcileTuning Zr₁₂O₂₂ Node Defects as Catalytic Sites in the Metal-Organic Framework hcp UiO-66, COA of Formula: C4H10O2, the publication is ACS Catalysis (2020), 10(5), 2906-2914, database is CAplus.

Defects in metal-organic frameworks (MOFs) play important roles in MOF reactivity and catalysis. Now, we report evidence of the reactivity and the quant. characterization of the missing linker defects on the Zr₁₂O₂₂ nodes in the MOF hcp UiO-66 (these are paired Zr₆O₈ nodes bridged by OH groups) and those on the Zr₆O₈ nodes of the MOF UiO-66. The defect sites catalyze the ring-opening reactions of epoxides with alcs., and new sites formed by removal of bridging OH groups on the Zr₁₂O₂₂ nodes also participate in the catalysis. The hcp UiO-66 was synthesized from UiO-66 and from mol. precursors, and, under various synthesis conditions, the nodes incorporated acetate ligands, where linkers were missing, and the number of these ligands was controlled by the synthesis conditions. These ligands are inhibitors of the catalytic reactions, and their removal by reaction with, for example, methanol (to form, for example, Me acetate) preceded catalysis on the defect sites. The former MOF incorporated more defect sites than the latter, correspondingly being a more active catalyst. The defect sites on the Zr₁₂O₂₂ nodes are 2-6 times more active per site than those on the isolated Zr₆O₈ nodes, with the node-bridging OH groups increasing the catalytic activity of the neighboring node defect sites because new sites are formed by their removal. The results help point the way to the design and control of catalytic sites on metal oxide-like MOF nodes by tuning of the number and reactivity of the defect sites.

ACS Catalysis published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, COA of Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Frisell, Wilhelm R. published the artcileThe binding sites of sarcosine oxidase, Safety of 2-Methoxyacetamide, the publication is Journal of Biological Chemistry (1955), 275-85, database is CAplus.

cf. C.A. 48, 7680h. Methoxyacetate and acetate inhibit the oxidative demethylation of sarcosine by liver mitochondria competitively and to a comyarative degree. When the carboxylate group of either inhibitor is replaced by a less polar substituent, the order of inhibitory activity is COO^– > CHO â‰?CH₂OH > CONH₂. Substitution in the terminal Me group decreased the inhibition in the order: Me > CH₂F > CH₂Cl > CH₂Br > CH₂I. In the methoxyacetate series, binding is proportional to the nucleophilic character of the β-position: N > O > S > CH₂. It is deduced that the carboxylate group is bound to the active surface by an NH₄, guanidinium, or other electrophilic substituent, and that the Me group is bound by a hydrocarbon moiety. In addition to these primary sites there is a 3rd site, electrophilic in nature, which binds N, O, or S. From the comparable activity of methoxyacetate and acetate it is deduced that the carboxylate- and Me-binding sites comprise contiguous corners of a square pattern in which the O, N, and S binding site is a 3rd corner. In fitting such a surface, methoxyacetate and sarcosine assume their most compact or square configuration. MeOCH₂CO₂Et with concentrated NH₄OH yielded the amide, m. 97-9° (uncorrected). HSCH₂CO₂Et treated with MeI in alc. NaOMe and the product hydrolyzed with NaOH yielded S-methylthioglycolic acid, b₂₀ 119-20°.

Journal of Biological Chemistry published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, Safety of 2-Methoxyacetamide.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mugford, Paul F. published the artcileUnexpected Subtilisin-Catalyzed Hydrolysis of a Sulfinamide Bond in Preference to a Carboxamide Bond in N-Acyl Sulfinamides, Name: 2-Methoxyacetamide, the publication is Journal of the American Chemical Society (2005), 127(18), 6536-6537, database is CAplus and MEDLINE.

Subtilisin Carlsberg-catalyzed hydrolysis of N-chloroacetyl p-toluenesulfinamide favored cleavage of the sulfinamide (S(O)-N) bond with a minor amount (âˆ?5%) of the expected carboxamide (C(O)-N) bond. The sulfinamide hydrolysis was enantioselective (E âˆ?17) and yielded remaining starting material enriched in the R-enantiomer and achiral product, sulfinic acid and chloroacetamide, as confirmed by mass spectra and NMR. In contrast, the related subtilisin BPN’ and E favored the carboxamide hydrolysis. Hydrolysis of the pseudo-sym. N-p-toluoyl p-toluenesulfinamide, which contains a sulfinamide and a carboxamide in similar steric and electronic environments, gave only sulfinamide cleavage (>10:1) for subtilisin Carlsberg, showing that sulfinamide cleavage is the preferred path even when a similar carboxamide is available.

Journal of the American Chemical Society published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, Name: 2-Methoxyacetamide.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Liu, Ning published the artcileCTAB-P123-assisted synthesis of orderly mesoporous KF/Al-Ce-SBA-15 solid base and its catalytic application, HPLC of Formula: 1589-47-5, the publication is Yingyong Huaxue (2019), 36(11), 1294-1300, database is CAplus.

The orderly mesoporous KF/Al-Ce-SBA-15 (KF/ACS) solid bases were successfully prepared with cetyltrimethylammonium bromide (CATB)- poly (ethylene oxide)/poly (propylene oxide)/poly (ethylene oxide) triblock copolymer (P123) as the dual-template and KF as the modifier in two steps. The structure and property of the obtained catalysts were characterized by X-ray diffraction (XRD), N₂ adsorption-desorption, transmission electron microscopy (TEM), SEM (SEM) and CO₂-temperature programmed desorption (TPD). The results illustrated that the KF/ACS catalysts possess both an ordered mesostructure and superbasicity when the introduced Al/Ce at. ratio is 0.12 and the loading amounts (mass fraction) of KF is 10%. The catalytic activity of the prepared materials was evaluated in the ring-opening reaction of propylene oxide (PO) with methanol. It shows excellent catalytic performance exhibiting 92.0% yield of propylene glycol monomethyl ether (PM) and 96.1% selectivity to 1-methoxy-2-propanol (PPM) and the byproducts of dipropylene glycol Me ether was effectively inhibited.

Yingyong Huaxue published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, HPLC of Formula: 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Ren, Miao-miao published the artcileSupercritical extraction and characterization of corn stover lignin, COA of Formula: C4H10O2, the publication is Huaxue Gongye Yu Gongcheng (Tianjin, China) (2012), 29(5), 52-57, database is CAplus.

ScCO₂/ethanol-water was used to extract lignin from corn stover. Lignin product was obtained from the extraction by precipitation The composition of the extract and the structure of the extracted lignin product were analyzed using GC-MS, FTIR and UV. Thermogravimetric anal. was conducted to study the thermal stability of extracted lignin. The results showed that the extracted lignin appeared to show the typical lignin structures and to decompose mostly between 180°C and 500°C. The three dimension supramol. structure of lignin was greatly broken down, primarily through the cleavage of ether linkages. The internal bonds of lignin-hemicellulose were not hydrolyzed completely, which leading to the extracted lignin containing a certain amount of carbohydrate.

Huaxue Gongye Yu Gongcheng (Tianjin, China) published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, COA of Formula: C4H10O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Xiao, Juan-Ding published the artcileRelation Between Coordination and Lewis-Acid Property of MOF-Derived Mononuclear Zn(II) Catalyst Toward Epoxide Hydroxylation, Name: 2-Methoxypropan-1-ol, the publication is ChemCatChem (2021), 13(24), 5236-5242, database is CAplus.

Lewis-acid properties of the coordinatively unsaturated metal ions are highly relevant to the coordination environment; however, it remains a challenge to establish the coordination structure-activity relationship, especially in heterogeneous catalysis. Here, a typical metal-organic framework, ZIF-8, is selected as the precursor to prepare Lewis-acid based Zn-N/P-C mononuclear catalysts, with well-designed external structures but difference in the local coordination. The obtained mononuclear Zn(II) catalysts can not only inherit the advantages of MOF in coordination, but also simulate the homogeneous environment during the catalysis owing to the monodispersed metal sites in ZIF-8. Eventually, relation between coordination and Lewis-acid property toward epoxide hydroxylation has been illustrated. Results show the substituted coordination atom of P and the decrease of coordination number strongly enhance the Lewis-acidity of Zn²⁺, causing the TOF values changes from 8.7 to 80.1 h^-1 based on Zn content. The work affords an understanding and inspiration of coordination environment matters toward Lewis-acid catalysis in organic transformations.

ChemCatChem published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C13H19Br2ClN2O, Name: 2-Methoxypropan-1-ol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mantel, Mette L. H. published the artcilePd-catalyzed C-N bond formation with heteroaromatic tosylates, SDS of cas: 16332-06-2, the publication is Chemistry – A European Journal (2010), 16(18), 5437-5442, S5437/1-S5437/52, database is CAplus and MEDLINE.

A protocol for the palladium(0)-catalyzed amidation of heteroaromatic tosylates was successfully developed. The methodol. proved to be effective for a variety of heteroaryl tosylates including the pyridine, pyrimidine, quinoline and quinoxaline ring systems. Successful carbon-nitrogen bond formation with these heteroaryl tosylates could be performed with a wide range of primary amides, oxazolidinones, lactams, anilines and indoles, including one cyclic urea. Moreover, this C-N bond forming reaction provided products with high structural diversity. The coupling reaction was also amenable to scale up applications.

Chemistry – A European Journal published new progress about 16332-06-2. 16332-06-2 belongs to ethers-buliding-blocks, auxiliary class Amine,Aliphatic hydrocarbon chain,Amide,Ether, name is 2-Methoxyacetamide, and the molecular formula is C3H7NO2, SDS of cas: 16332-06-2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem