Tag: M.W=100-200

Collman, James P.; Chien, Allis S.; Eberspacher, Todd A.; Zhong, Min; Brauman, John I. published the article 《Competitive Reaction of Axial Ligands during Biomimetic Oxygenations》. Keywords: pyridine axial ligand oxidation metalloporphyrin biomimetic oxygenation; oxidation catalyst iron porphyrin pyridine tail; biomimetic oxygenation competitive oxidation axial ligand.They researched the compound: 3-Pyridinepropionic acid( cas:3724-19-4 ).Computed Properties of C8H9NO2. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:3724-19-4) here.

Nitrogenous bases have commonly been employed as axial ligands for metalloporphyrins in biomimetic model compounds and catalytic oxygenation chem. The addition of bases such as pyridines or imidazoles to metalloporphyrin-catalyzed hydrocarbon oxidation reactions is known to affect catalyst selectivity and turnover rate; this effect was correlated with the electron-donor ability of the ligand. The role of pyridine in these reactions is far more involved than that of a simple axial ligand: pyridine is a competitive substrate and is converted in high yield to the N-oxide. Subsequently, both of these species act as ligands to the metal center. Thus, catalytic systems containing oxidizable pyridines involve complex equilibrium with multiple forms of ligated catalyst, and kinetic results should be interpreted with caution. Alternatives to free pyridine were tested, including a pyridine tail which is covalently attached to the porphyrin.

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Ren, Jingyun; Ban, Xu; Zhang, Xin; Tan, Siu Min; Lee, Richmond; Tan, Choon-Hong published an article about the compound: tert-Butyl 2-cyanoacetate( cas:1116-98-9,SMILESS:O=C(OC(C)(C)C)CC#N ).Recommanded Product: tert-Butyl 2-cyanoacetate. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:1116-98-9) through the article.

We have developed a method to afford enantiomerically enriched tertiary azides and bromides through pentanidium-catalyzed kinetic resolution (KR) of racemic tertiary bromides under base-free conditions. We found that the absence of water is crucial to attain a high selectivity factor (s). On the other hand, new exptl. observations and DFT modeling led us to propose that enantioconvergent azidation of tertiary bromides proceeded through dynamic kinetic resolution (DKR). The investigations particularly identified the crucial roles of base and water in the enantioconvergent process, thus supporting the proposal that the tertiary bromide isomerizes in the presence of base and water through a SN2X pathway.

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So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Martin, David P.; Springsteen, Caleb H.; LaDuca, Robert L. researched the compound: 3-Pyridinepropionic acid( cas:3724-19-4 ).Related Products of 3724-19-4.They published the article 《Hydrothermal synthesis, structural determination, and thermal properties of 2-D cobalt- and nickel-based coordination polymers incorporating pendant-arm 3-pyridinecarboxylate ligands》 about this compound( cas:3724-19-4 ) in Inorganica Chimica Acta. Keywords: transition metal pyridylcarboxylate preparation structure hydrogen bond; crystal structure cobalt nickel pyridylcarboxylate polymeric. We’ll tell you more about this compound (cas:3724-19-4).

Hydrothermal synthesis has afforded a family of four coordination polymers containing divalent Ni or Co and pendant-arm pyridylcarboxylate ligands. Using 3-pyridylacetic acid and appropriate metal precursors produced [M(3-pyrac)2(H2O)2] phases (M = Co (1); M = Ni (2)), while 3-pyridylpropionic acid generated [M(3-pyrprop)2(H2O)2] coordination polymers (M = Co (3); M = Ni (4)). Single crystal x-ray diffraction revealed that 1-4 all display discrete 2-dimensional layers with (4,4)-topol., anchored via bridging 3-pyridylcarboxylate ligands bearing monodentate carboxylate termini. Intralamellar H bonding between the aquo ligands and unligated carboxylate O atoms is observed within 1-4. The pseudo 3-dimensional structures of 1-4 are further assembled via stacking of individual neutral layers by interlayer H bonding. Thermal properties are also discussed.

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Related Products of 1116-98-9. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: tert-Butyl 2-cyanoacetate, is researched, Molecular C7H11NO2, CAS is 1116-98-9, about Activated 2-methylidene-1,3-thiazolidin-4-ones in a promising approach to the synthesis of polyfunctional thiazolo[3,2-c]pyrimidines. Author is Litvinchuk, Mariia B.; Bentya, Anton V.; Rusanov, Eduard B.; Vovk, Mykhailo V..

A preparatively convenient and efficient synthetic route to new 5H-[1,3]thiazolo[3,2-c]pyrimidine derivatives I (R = cyclopropyl, tert-Bu, methoxy, benzyloxy, tert-butyloxy, Ar = Ph, 3-bromophenyl, 4-chlorophenyl, 4-fluorophenyl) is described that involves the cyclocondensation of acyl or alkoxycarbonyl α-functionalized 2-methylidene-1,3-thiazolidin-4-ones II with 1-chlorobenzyl isocyanates ArCH(Cl)NCO. The optimal reaction conditions, viz., heating reagents in toluene in the absence of an organic base, afford the target products in 48-74% yields. Some tert-Bu 2-(4-oxo-1,3-thiazolidin-2-ylidene)ethanoates produce, along with the desired tert-Bu [1,3]thiazolo[3,2-c]pyrimidine-8-carboxylates I (R = tert-BuO, Ar = Ph, 3-bromophenyl, 4-chlorophenyl), the corresponding 8-carboxylic acids III in 18-21% yields. A reliable structural determination of all the synthesized compounds has been performed by elemental anal. and a number of spectroscopic methods (1H and 13C NMR, HPLC/MS, and FT-IR) as well as by X-ray diffraction anal.

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Imidazole – Wikipedia,
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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Synthesis and Catalytic Activities of 3-Decyl-β-proline for Michael Reactions in Water without an Organic Solvent, published in 2021-08-03, which mentions a compound: 1116-98-9, Name is tert-Butyl 2-cyanoacetate, Molecular C7H11NO2, HPLC of Formula: 1116-98-9.

The compound 3-Decyl-β-proline, which has a highly lipophilic substituent, was synthesized, and its catalytic activities in Michael addition using water as the solvent were investigated. The decyl substituent promoted the reaction by hydrophobic interactions to afford the Michael adduct in a high yield and with high diastereoselectivity under low catalyst loading.

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Imidazole – Wikipedia,
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Computed Properties of C8H9NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Highly efficient N-heterocyclic carbene/ruthenium catalytic systems for the acceptorless dehydrogenation of alcohols to carboxylic acids: effects of ancillary and additional ligands. Author is Wang, Wan-Qiang; Cheng, Hua; Yuan, Ye; He, Yu-Qing; Wang, Hua-Jing; Wang, Zhi-Qin; Sang, Wei; Chen, Cheng; Verpoort, Francis.

The transition-metal-catalyzed alc. dehydrogenation to carboxylic acids has been identified as an atom-economical and attractive process. Among various catalytic systems, Ru-based systems have been the most accessed and investigated ones. With our growing interest in the discovery of new Ru catalysts comprising N-heterocyclic carbene (NHC) ligands for the dehydrogenative reactions of alcs., we designed and prepared five NHC/Ru complexes ([Ru]-1-[Ru]-5) bearing different ancillary NHC ligands. Moreover, the effects of ancillary and addnl. ligands on the alc. dehydrogenation with KOH were thoroughly explored, followed by the screening of other parameters. Accordingly, a highly active catalytic system, which is composed of [Ru]-5 combined with an addnl. NHC precursor L5, was discovered, affording a variety of acid products in a highly efficient manner. Gratifyingly, an extremely low Ru loading (125 ppm) and the maximum TOF value until now (4800) were obtained.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

SDS of cas: 3724-19-4. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Experimental spectroscopic, Quantum computational, Hirshfeld surface and molecular docking studies on 3-Pyridinepropionic acid. Author is Savita, Sandhya; Fatima, Aysha; Garima, Km.; Pooja, Km.; Verma, Indresh; Siddiqui, Nazia; Javed, Saleem.

3-Pyridine propionic acid (3-PPIA) was studied exptl. by UV-Vis, 1H NMR, 13C NMR spectroscopy and Quantum computationally by d. functional theory approach. The B3LYP/6-311++G(d,p) basis set used to get the optimized structure, vibrational frequencies, and other various parameters. Calculated bond lengths and angles were compared with the exptl. bond lengths and Bond angle Parameters. 3D Hirshfeld surface and 2D fingerprint plots were drawn by using Crystal Explorer software. The HOMO/LUMO energy gap results indicated that, adequate charge transfer was happening within the mol. ELF was drawn to find the degree of relative localization of electrons. The NBO anal. was done to study donor and acceptor interactions. The MEP surface was drawn in 3-D color coding and Fukui functions were analyzed to find possible sites to attack by different substituents. TD-DFT method and PCM solvent model was employed for electronic property anal. such as UV-Vis (in gas phase, ethanol and DMSO) and compared with the exptl. UV-Vis spectra done in DMSO and Methanol. 2D Hirshfeld surface was drawn to study intermol. interactions in detail and 2D finger print plots were drawn for anal. of percentage of interaction in between atoms, it revealed that 3-PPIA was stabilized mainly by formation of H-H/H-O/C-H contacts. The drug-likeness study was carried out on the ligand mol. and its derivatives, indicated drug like nature of 3-PPIA. Mol. docking was done to study interaction between ligand and proteins with two protein receptors 4JIR and 5OUO, and found binding energies-6.6 and -6.2 kcal/mol, showed to have potential application in the medical field. This study could be used in the future for further development of pharmacol. active based on 3-pyridinepropionic acid.

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Application of 3724-19-4. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about Discovery of Selective Hexapeptide Agonists to Human Neuromedin U Receptors Types 1 and 2. Author is Takayama, Kentaro; Mori, Kenji; Taketa, Koji; Taguchi, Akihiro; Yakushiji, Fumika; Minamino, Naoto; Miyazato, Mikiya; Kangawa, Kenji; Hayashi, Yoshio.

Neuromedin U (NMU) are bioactive peptides with a common C-terminal heptapeptide sequence (FLFRPRN-amide, 1a) among mammals, which is responsible for receptor activation, namely NMU receptor types 1 (NMUR1) and 2 (NMUR2). Among the various physiol. actions of NMU, the anorexigenic effect has recently attracted attention in drug discovery efforts for treating obesity. Although several structure-activity relationship (SAR) studies have been reported, receptor-selective small peptide agonists have yet to be disclosed. Herein a SAR study of 1a-derived peptide derivatives is described. We initially screened both human NMUR1- and NMUR2-selective peptides in calcium-mobilization assays with cells transiently expressing receptors. Then we performed a precise assay with a stable expression system of receptors and consequently discovered hexapeptides 8d and 6b possessing selective agonist activity toward each resp. receptor. Hexapeptide 6b, which selectively activates NMUR2 without significant NMUR1 activation, should aid in the development of anorexigenic drugs as well as advance NMU-related endocrinol. research.

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Computed Properties of C8H9NO2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 3-Pyridinepropionic acid, is researched, Molecular C8H9NO2, CAS is 3724-19-4, about 3-(Pyridin-3-yl)propionic acid. Author is Lemmerer, Andreas.

In the crystal of the title compound, C8H9NO2, mols. assemble to form C(8) chains along the b axis by N-H…O H bonds, supported by weaker C-H…O H bonded-interactions between adjacent chains. Crystallog. data and at. coordinates are given.

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Asian Journal of Organic Chemistry called Visible Light Photocatalytic Trifluoromethylation/SET Oxidation/Cycloaddition Sequences of 2-Vinyl Phenols: Multicomponent Synthesis of 4H-Chromenes, Author is Jang, Jihoon; Kim, Dae Young, which mentions a compound: 1116-98-9, SMILESS is O=C(OC(C)(C)C)CC#N, Molecular C7H11NO2, Computed Properties of C7H11NO2.

Visible light-mediated photocatalytic trifluoromethylation, single electron transfer (SET) oxidation, and cycloaddition cascades of 2-vinyl phenols with Umemoto’s reagent and malononitrile were developed. This approach provided the multicomponent synthesis of trifluoromethylated 4H-chromenes I [R = H, 6-Me, 6,8-di-Br, etc.; R1 = CN, CO2Me, CO2t-Bu] via the in situ generation of o-quinone methides, followed by sequential cyclization.

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