Tag: 100-200

Benouatas, Assia; Laroum, Rima; Hamdouni, Noudjoud; Zemamouche, Wissame; Debache, Abdelmadjid; Boudjada, Ali published an article in 2021. The article was titled 《Structural study and Hirshfeld surface analysis of (Z)-4-(2-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one》, and you may find the article in Acta Crystallographica, Section E: Crystallographic Communications.Quality Control of 2-Methoxybenzaldehyde The information in the text is summarized as follows:

The title compound, C17H13NO3, adopts a Z configuration about the C=C bond. The isoxazole and methoxybenzylidene rings are almost coplanar with a dihedral angle of 9.63 (7)° between them. In contrast, the Ph substituent is twisted significantly out of the plane of the oxazole ring, with the two rings inclined to each other by 46.22 (4)°. The crystal structure features C-H···O, C-H···N and C-H···π hydrogen bonds and π-π contacts. An anal. of the Hirshfeld surfaces points to the importance of H···H, H···C/C···H and H···O/O···H contacts. The included surface areas of the title compound were compared to those of the isomeric structure (Z)-4-(4-methoxybenzylidene)-3-phenylisoxazol-5(4H)-one [Zhang et al. (2015). CrystEngComm, 17, 7316-7322]. The experimental part of the paper was very detailed, including the reaction process of 2-Methoxybenzaldehyde(cas: 135-02-4Quality Control of 2-Methoxybenzaldehyde)

2-Methoxybenzaldehyde(cas: 135-02-4) is found in cassia oil, cinnamon bark, and cinnamon bark oil. It is a clear colorless liquid with a strong aroma. It has been used to examine the acaricidal activity of Periploca sepium oil and its active component against Tyrophagus putrescentiae.Quality Control of 2-Methoxybenzaldehyde

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《Quadruple Bond Forming Multicomponent Approach to 5-(3-chromenyl)-5H-chromeno[2,3-b]pyridines and Its Interaction with the Neuropeptide Y1 Receptor》 was published in Chemistry of Heterocyclic Compounds (New York, NY, United States) in 2020. These research results belong to Ryzhkov, Fedor V.; Ryzhkova, Yuliya E.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Korolev, Victor A.; Egorov, Mikhail P.. Application of 673-22-3 The article mentions the following:

A new multicomponent, one-pot reaction yielding previously unknown 5-(4-hydroxy-2-oxo-2H-chromen-3-yl)-5H-chromeno[2,3-b]pyridines I (R1 = H, OMe, OEt, Br; R2 = H, OH, OMe; R3 = H, Br, Cl, NO2) in 52-94% yield has been found. This multicomponent approach allows to construct four new bonds to synthesize some 5H-chromeno[2,3-b]-pyridines I under mild conditions. Mol. docking and dynamics studies of the synthesized structures I were carried out to identify their interaction with the binding pocket of the neuropeptide Y1 receptor. After reading the article, we found that the author used 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Application of 673-22-3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Application of 673-22-3

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《Crystal structure of (E)-N′-((4-aminophenyl)sulfonyl)-N,N-dimethylformimidamide, C9H13N3O2S》 was published in Zeitschrift fuer Kristallographie – New Crystal Structures in 2020. These research results belong to Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Ghabbour, Hazem A.; Obaidullaha, Ahmad J.. Name: N,N-Dimethylformamide Dimethyl Acetal The article mentions the following:

C9H13N3O2S, monoclinic, P21/c (number 14), a = 8.0984(4) Å, b = 17.3203(10) Å, c = 9.6802(4) Å, β = 124.031(3)°, V = 1125.26(10) Å3, Z = 4, Rgt(F) = 0.0504, wRref(F2) = 0.1275, T = 293(2) K. CCDC number: 1514612. A mixture of benzenesulfonamide (344 mg, 2 mmol) and N, N-dimethylformamide di-Me acetal (476 mg, 4 mmol) in ethanol (10 mL) was heated under reflux for 10 h. The reaction mixture was cooled and the separated solid was filtered, dried and recrystallized from ethanol. Yield 96%; 1H NMR (DMSO-de; 500 MHz): δ 8.10 (s, 1H, N-C(H)=N), 7.39-7.37 (d, 2H, j = 8.5 Hz, Ar-H), 6.58-6.56 (d, 2H, j = 9.0 Hz, Ar- H), 5.82 (s, 2H, NH2), 3.10 (s, 3H, CH3), 2.87 (s, 3H, CH3) ppm; 13C NMR (DMSO-de; 125 MHz): δ 35.30 (CH3), 41.14 (CH3), 113.01, 128.20, 129.03, 152.41, 159.43 (N-CH=N) ppm; MS: m/z = 227.1.N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5Name: N,N-Dimethylformamide Dimethyl Acetal) was used in this study.

N,N-Dimethylformamide Dimethyl Acetal(cas: 4637-24-5) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Name: N,N-Dimethylformamide Dimethyl Acetal

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COA of Formula: C8H8O3In 2020 ,《Experimental and theoretical investigation of ground state intramolecular proton transfer (GSIPT) in salicylideneaniline Schiff base derivatives in polar protic medium》 was published in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy. The article was written by Das, Bijoya; Chakraborty, Amrita; Chakraborty, Shamik. The article contains the following contents:

Ground state intramol. proton transfer process has been comprehensively investigated in three salicylideneaniline Schiff base derivatives (SB1, SB2, and SB3) using exptl. and theor. methods. It has been confirmed that all the three Schiff base mols. in the ground electronic state exist in the enol form in non-polar and polar aprotic solvents. Keto form is being populated by the polar protic solvent through ground state intramol. proton transfer (GSIPT) process. Ground state equilibrium between the enol and keto tautomers for SB1 and SB3 is mainly governed by the proton donating ability of the solvent. Ground state equilibrium between the enol and keto tautomers of SB2 which is a positional isomer of SB3 is governed by the polarity and proton donating ability of the solvents. Excited state intramol. proton transfer (ESIPT) process is also evidenced in all the three Schiff base mols. Theor. calculations at the B3LYP/cc-pVDZ level in the gas phase and in different solvents using polarisable continuum model (PCM) have failed to establish the GSIPT process. Microsolvation of individual enol and keto conformers has been investigated considering upto three solvent mols. The energetics of the individual conformers together with the corresponding transition state have been calculated It has been confirmed that the keto conformer is more stable compared to the enol conformer in microsolvated cluster of three methanol mols. Lowering of activation energy for the enol to keto tautomerisation in the presence of methanol also supports the exptl. observation for GSIPT process. TDDFT/B3LYP/cc-pVDZ single point calculations for microsolvated clusters of enol and keto form of the Schiff base mols. exhibit an excellent agreement with the exptl. obtained absorption spectra. Difference in spectral nature of the Schiff base mols. has been explained using natural bond orbital (NBO) anal. Quantum theory of atoms in mols. (QTAIM) has also been utilized to understand the GSIPT process in detail. The results came from multiple reactions, including the reaction of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3COA of Formula: C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.COA of Formula: C8H8O3

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The author of 《A novel near-infrared fluorescent probe for detecting intracellular alkaline phosphatase and imaging of living cells》 were Xu, Longbin; He, Xu; Huang, Yibing; Ma, Pinyi; Jiang, Yanxiao; Liu, Xin; Tao, Shuo; Sun, Ying; Song, Daqian; Wang, Xinghua. And the article was published in Journal of Materials Chemistry B: Materials for Biology and Medicine in 2019. Electric Literature of C8H8O3 The author mentioned the following in the article:

Development of novel near-IR (NIR) fluorescent probes for the monitoring of active substances in living organism is desirable in biol. studies. Herein, we designed a novel NIR MTR fluorophore which has a longer emission wavelength, greater Stokes shift and higher quantum yield than the classic hemicyanine NIR fluorophore. The synthesized MTR-derived NIR probe (MTR-P, I) is highly selective and sensitive to alk. phosphatase (ALP) activity. In the presence of ALP, MTR-P exhibited increased fluorescence signal by up to 56 fold at 723 nm, and it was determined to be 0.042 U L-1. In addition, the mechanism of the MTR-P probe was further examined by HPLC, mass spectrometry and DFT/TDDFT calculations The NIR probe MTR-P was successfully applied to measure the levels of alk. phosphatase in different types of cells by fluorescence imaging. The experimental process involved the reaction of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Electric Literature of C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is the main component of root bark essential oil of Periploca sepium Bunge. It is a potential tyrosinase inhibitor present in African medicinal plants. 2-Hydroxy-4-methoxybenzaldehyde was used in the synthesis of Schiff base ligand.Electric Literature of C8H8O3

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《Comparison of antioxidant activities of mono-, di- and tri-substituted coumarins》 was published in Journal of the Turkish Chemical Society, Section A: Chemistry in 2020. These research results belong to Onar, Hulya Celik; Yasa, Hasniye; Sin, Oktay. HPLC of Formula: 150-19-6 The article mentions the following:

In this study, numerous coumarin compounds I (X = carboxy, acetyl, benzoyl, H; Y = H, Me, Ph, n-propyl; Z = H, hydroxy, amino, methoxy) were synthesized by Pechmann and Knoevenagel methods, and the substitution of the formyl group was provided by the Duff reaction. Besides, the synthesized coumarin derivatives I were compared in terms of antioxidant activity according to DPPH and CUPRAC methods. The main aim of the study is to determine the effects of substituents on antioxidant activity. In the experimental materials used by the author, we found m-Methoxyphenol(cas: 150-19-6HPLC of Formula: 150-19-6)

m-Methoxyphenol(cas: 150-19-6) may be used in synthesis of:C(4) symmetric calix[4]resorcinarene, 2-nitroso-5-methoxyphenol, 6-methoxy-2(3H)-benzoxazoloneHPLC of Formula: 150-19-6

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《A colorimetric and near-infrared ratiometric fluorescent probe for hydrazine detection and bioimaging》 was published in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2020. These research results belong to Wu, Cuiyan; Xie, Ruihua; Pang, Xiao; Li, Yaqian; Zhou, Zile; Li, Haitao. Quality Control of 2-Hydroxy-4-methoxybenzaldehyde The article mentions the following:

Hydrazine (N2H4) is extensively used in industry but highly toxic; hence, highly sensitive detection of N2H4 is extremely meaningful. Herein, a colorimetric and near-IR (NIR) ratiometric fluorescent probe named DXM-OH was rationally designed and synthesized based on oxanthrene malononitrile derivative for the specific detection of N2H4. The dicyanovinyl group in DXM-OH was served as the recognition unit for N2H4. DXM-OH showed high sensitivity to N2H4 in the range of 1-900 μM, with the limit of detection (LOD) of 0.09 μM (2.87 ppb), which is much lower than the U. S. Environmental Protection Agency standard (10 ppb). Furthermore, the practical applications of DXM-OH in detecting N2H4 in real water samples and imaging of N2H4 in living cells were demonstrated, indicating its potential utility for N2H4 sensing in environmental and biol. samples. In the experiment, the researchers used many compounds, for example, 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Quality Control of 2-Hydroxy-4-methoxybenzaldehyde)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Quality Control of 2-Hydroxy-4-methoxybenzaldehyde

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Ether – Wikipedia,
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《New molecular wires with two ferrocene hinges [Erratum to document cited in CA150:77763]》 was published in Journal of Inorganic and Organometallic Polymers and Materials in 2012. These research results belong to Ma, Jingxiang; Vollmann, Marc; Menzel, Henning; Pohle, Sven; Butenschoen, Holger. Product Details of 74029-40-6 The article mentions the following:

On page 48, the 1H NMR and HRMS data for compound 17 contained errors; the corrected data are given. The experimental process involved the reaction of 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Product Details of 74029-40-6)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Ethers do have nonbonding electron pairs on their oxygen atoms, and they can form hydrogen bonds with other molecules (alcohols, amines, etc.) that have O―H or N―H bonds. Product Details of 74029-40-6 The ability to form hydrogen bonds with other compounds makes ethers particularly good solvents for a wide variety of organic compounds and a surprisingly large number of inorganic compounds.

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《A novel near-infrared turn-on fluorescent probe for the detection of Fe3+ and Al3+ and its applications in living cells imaging》 was written by Li, Bai; Mei, Huihui; Chang, Yongxin; Xu, Kuoxi; Yang, Li. Computed Properties of C8H8O3 And the article was included in Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy in 2020. The article conveys some information:

A new hemicyanidine-based colorimetric-fluorescent probe L (I) has been synthesized and characterized by x-ray single crystal diffraction, NMR, HRMS and other technologies. The probe L serves as a “”turn-on”” probe for the detection of Fe3+ and Al3+ ions in DMF-HEPES system with a high sensitivity and an excellent selectivity. The probe L manifesting the color of the solution containing L turns red on the addition of Fe3+, and turns pink on the addition of Al3+. The fluorescence turn-on detection of Fe3+ and Al3+ ions is attributed to the photo-induced electron transfer (PET) process and the exertion of the chelation-enhanced fluorescence effect (CHEF) mechanism. The results of thin layer silica gel plate coloration experiments also present the same characteristics. Addnl., further the probe L exhibit good cell permeability and could be employed to monitor Fe3+ and Al3+ ions in the living cells. The experimental part of the paper was very detailed, including the reaction process of 2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3Computed Properties of C8H8O3)

2-Hydroxy-4-methoxybenzaldehyde(cas: 673-22-3) is employed in the synthesis of Schiff base ligand. It is applied as a reactant in the synthesis of LPA1R antagonists used in the inhibition of LPA-induced proliferation and contraction of normal human lung fibroblasts. Also used in the synthesis of tyrosine kinase 6 proteinase inhibitors.Computed Properties of C8H8O3

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

Zhao, Baohai; Lin, Jimao; Zhao, Cuihua; Wang, Ziying published an article in Acta Crystallographica, Section E: Structure Reports Online. The title of the article was 《1,4-Dimethoxy-2,5-bis{2-[4-(trifluoromethyl)phenyl]ethynyl}benzene》.Quality Control of 1,4-Diethynyl-2,5-dimethoxybenzene The author mentioned the following in the article:

The asym. unit of the title compound, C26H16F6O2, contains one half of the mol. situated on an inversion center. In the rod-like mol., the two terminal benzene rings form a dihedral angle of 71.9 (1)° with the central benzene ring. The trifluoromethyl group is rotationally disordered over two orientations in a 0.53 (1):0.47 (1) ratio. The crystal packing exhibits no classical intermol. interactions. The results came from multiple reactions, including the reaction of 1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6Quality Control of 1,4-Diethynyl-2,5-dimethoxybenzene)

1,4-Diethynyl-2,5-dimethoxybenzene(cas: 74029-40-6) belongs to ethers.Quality Control of 1,4-Diethynyl-2,5-dimethoxybenzeneAlthough ethers resist hydrolysis, they are cleaved by hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly.

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