- Structure, thermal stability, antioxidant activity and DFT studies of trisphenols and related phenols
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Two kinds of trisphenols have been successfully synthesized and their structures were confirmed by IR spectra, 1HNMR, 13CNMR, mass spectra and X-ray diffraction. They exhibited better thermal stability than both monophenol and bisphenols due to their higher molecular weight. Moreover, their antioxidant activities have been investigated in lubricant oil using PDSC and RBOT. The results showed that the o-trisphenol 3b exhibited the best antioxidant activity while the p-trisphenol 3a was the worst. In addition, their relationship between structures and properties has been further explored by a series of DFT calculations including the BDE values, the IP values and the Gibbs free energy barriers for the reaction between phenols and methylperoxyl radicals.
- Yu, Shasha,Wang, Yishan,Ma, Yujie,Wang, Limin,Zhu, Jia,Liu, Shenggao
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Read Online
- A novel calixsalen macrocycle: Metal sensing behavior for Zn2+ and intracellular imaging application
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The chiral [3+3] macrocycle 1 which displays a calixarene-like crystal structure has been synthesized. The UV/Vis and fluorescence spectral studies show that 1 and Zn2+ have a 1:3 complex stoichiometry. It exhibits high selectivity toward Znsu
- Zhu, Chengjian,Fu, Yong,Xing, Zhitao,Zhu, Chengcheng,Yang, Hongwei,He, Weijiang,Cheng, Yixiang
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Read Online
- Two are better than one - Synthesis of novel blue and green emissive hydroxy-oxadiazoles
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We describe herein synthesis of novel hydroxy-bis-2,5-disubstituted-1,3,4-oxadiazoles and their ability to emit green light, through ESIPT mechanism. Unlike previous reports, our compounds exhibit very good quantum yields, most likely avoiding the presume
- Anghel, C?t?lin C.,B?descu, Codru?a,H?dade, Niculina D.,M?d?lan, Augustin M.,Matache, Mihaela,Mirea, Anca G.,P?un, Anca,Popescu, Codru?a C.
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- CALIXARENE COMPOUNDS AND USES THEREOF
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Compounds of general Formula (I) wherein the elements A, L, R1 and R2 have a defined meaning, and their medical and non-medical use.
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Page/Page column 53
(2021/01/22)
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- Process preparation method of 4-substituted-2, 6-dimethylphenol
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The present invention discloses a process preparation method of 4-substituted-2, 6-dimethyl phenol. According to the process preparation method, a preparation route method is improved and optimized, reaction conditions are optimized, post-treatment and purification methods are improved, so that the danger grade of operation and the production cost are reduced; and the requirement for the corrosionresistance grade of reaction container equipment is low, the operation is safe, and the post-treatment is environment-friendly; and the prepared 4-substituted-2, 6-dimethyl phenol has less impurities, thus, the purity and the quality of an intermediate product are greatly improved while the yield is improved as well, the difficulty of process control in the production process of a subsequent rawmaterial medicine product is improved, and the quality and qualification rate of the subsequent raw material medicine product are improved; and the steps of the preparation method is simple to operate, the solvent and the process conditions are safe and easy to achieve, environment-friendly production is achieved, and the preparation method has wide application prospect.
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Paragraph 0122-0124
(2019/07/11)
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- Homodinuclear [Fe(III)?Fe(III)] and [Zn(II)?Zn(II)] complexes of a binucleating [N4O3] symmetrical ligand with purple acid phosphatase (PAP) and zinc phosphoesterase like activity
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The homodinuclear [Fe(III)–Fe(III)] (2) and [Zn(II)–Zn(II)] (3) complexes of binucleating [N4O3] symmetrical ligand (1) of the formulation, H3L (L = 2,6-bis{[(2-hydroxybenzyl)(2-pyridylmethyl)amino]methyl}-4-t-butylphenolate), display purple acid phosphatase (PAP) and zinc phosphoesterase like activity. For the two complexes, the spectrophotometric titration and the ESI-MS studies supported the existence of an equilibrium between a triaquated species, {L[(H2O)FeIII(μ-H2O)FeIII(H2O)]}3+ (2A) and {L[(H2O)ZnII(μ-H2O)ZnII(H2O)]}+ (3A), a diaquated and monohydroxo species, {L[(H2O)FeIII(μ-H2O)FeIII(OH)]}2+ (2B) and {L[(H2O)ZnII(μ-H2O)ZnII(OH)]} (3B), a monoaquated and dihydroxo species, {L[(H2O)FeIII(μ-OH)FeIII(OH)]}+ (2C) and {L[(H2O)ZnII(μ-OH)ZnII(OH)]}? (3C), and a trihydroxo species, {L[(HO)FeIII(μ-OH)FeIII(OH)]} (2D) and {L[(HO)ZnII(μ-OH)ZnII(OH)]}2? (3D), depending upon the pH of the solution. Of these, the active species namely, a monoaquated and dihydroxo species, {L[(H2O)FeIII(μ-OH)FeIII(OH)]}+ (2C) and {L[(H2O)ZnII(μ-OH)ZnII(OH)]}? (3C), hydrolyzed an activated substrate bis(2,4-dinitrophenyl)phosphate at the pH range of 5.5–10.5, displaying Michealis–Menton kinetics. Significantly enough, the catalyst-substrate adduct of the type {L[FeIII(μ-OH)(μ-RPO4)FeIII]} (2F) has been detected by ESI-MS for the dinuclear [Fe(III)–Fe(III)] complex (2).
- Pathak, Chandni,Gangwar, Manoj Kumar,Ghosh, Prasenjit
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- Water-promoted ortho-selective monohydroxymethylation of phenols in the NaBO2 system
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Water-promoted ortho-selective monohydroxymethylation of phenols in the NaBO2 system generates salicyl alcohols in 65-97% yields. A remarkable rate-enhancement by water was observed, and NaBO2 appeared to serve the dual role of a suitable base and an efficient chelating reagent. This protocol possesses many advantages such as short reaction times, expanded substrate scope, and high mono- and regio-selectivities. The experimental results were explained by the calculations based on local ionisation energy minima, leading to a possible reaction mechanism.
- Li, Hui-Jing,Wu, Ying-Ying,Wu, Qin-Xi,Wang, Rui,Dai, Chun-Yang,Shen, Zhi-Lun,Xie, Cheng-Long,Wu, Yan-Chao
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p. 3100 - 3107
(2014/05/06)
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- Distinct structures of inorganic-organic supramolecular assemblies based on discrete metallocyclic complexes incorporating flexible imidazole ligands: Syntheses, crystal structures and properties
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Three new interesting discrete dinuclear metallocyclic complexes, namely, {[Pd2(1)4](NO3)4· 2DMSO· 2H2O}n (4), [Pd2(2) 2Br4]n (5), and {[Pd2(3) 2Cl4]·4DMSO}n (6) have been successfully synthesized by the reaction of flexible exo-bidentate imidazole-containing ligands 1, 3-bis(imidazol-1-ylmethyl)benzene (1), 1, 3-bis(imidazol-1-ylmethyl)- 5-methylbenzene (2), and 2, 6-bis(imidazol-1-ylmethyl)-4-tert-butyl-phenol (3) with corresponding palladium salts. All these complexes were characterized by NMR spectroscopy in combination with elemental analysis, powder X-ray diffraction (PXRD), single-crystal X-ray diffraction, and thermal gravimetric analysis (TGA), respectively. Though all three complexes involve the similar supramolecular building blocks [2+2] metallocyclic units, under the inducement effect of the organic ligands, compounds 4-6 exhibit delicate geometric diversification of the resulting high-dimensional inorganic-organic supramolecular assemblies (e.g., [4+2] lantern-like cage structure, 1D channel, and 2D undulating framework, respectively). Furthermore, these results demonstrate that the secondary interactions such as intermolecular π ··· π stacking interactions and hydrogen bonds could play important roles in the aspect of linking low-dimensional entities into high-dimensional supramolecular frameworks.
- Yang, Li,Chang, Guanjun,Luo, Liang,Ding, Feng,You, Jingsong
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supporting information
p. 307 - 314
(2013/10/22)
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- Lower rim 1,3-diderivative of calix[4]arene-appended salicylidene imine (H2L): Experimental and computational studies of the selective recognition of H2L toward Zn2+ and sensing phosphate and amino acid by [ZnL]
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A new 1,3-diderivative of calix[4]arene appended with hydroxymethyl salicylyl imine has been synthesized and its ion recognition toward biologically relevant Mn+ ions studied. The receptor H2L showed selectivity toward Zn2+/sup
- Joseph, Roymon,Chinta, Jugun Prakash,Rao, Chebrolu P.
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experimental part
p. 3387 - 3395
(2010/08/03)
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- Self-assembly from metal-organic vesicles to globular networks: Metallogel-mediated phenylation of indole with phenyl boronic acid
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Self-assembly of the conformationally flexible bismethylimidazolyl ligands with Pd(OAc)2 is described. Depending on whether the ligands provide the hydrogen bonding donor, a switching of metal-organic vesicles to globular networks gelating solvents is achieved. The metallogels exhibit catalytic activity for the cross-coupling of indole with phenyl boronic acid.
- Yang, Li,Luo, Liang,Zhang, Shuai,Su, Xiaoyu,Lan, Jingbo,Chen, Chi-Tien,You, Jingsong
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supporting information; scheme or table
p. 3938 - 3940
(2010/07/14)
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- Synthesis and conformational aspects of 20- and 40-membered macrocyclic mono and dinuclear uranyl complexes incorporating salen and (R)-BINOL units
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20- and 40-membered macrocyclic mono and dinuclear uranyl complexes 11-13 incorporating salen and (R)-BINOL units have been designed and synthesized starting from 4-tert-butylphenol in eight steps. NMR measurements (COSY, NOESY/EXSY) indicate that such co
- Amato, Maria E.,Ballistreri, Francesco P.,Pappalardo, Andrea,Sciotto, Domenico,Tomaselli, Gaetano A.,Toscano, Rosa Maria
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p. 9751 - 9757
(2008/02/13)
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- Synthesis of a new stable peristatic chiral pseudocryptand for simultaneous binding of boron and sodium
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A new selective molecular receptor, borocryptate, based on the combination of the 15 membered ring diazatrioxa core and two saligenin units as binding sites for boron has been described. The resulting peristatic chiral compound is stable in air and easily
- Togrul, Mahmut,Topal, Giray,Yurdakoc, Mueruevvet,Hosgoeren, Halil
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p. 1201 - 1205
(2007/10/03)
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- Saligenin derivative borocryptand: synthesis and structural analysis of new type lithium borocryptate
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A new lithium receptor based on the combination of the [11] macrocyclic core and two 4-tert-butyl saligenin units was designed and prepared.
- Togrul, M.,Suenkuer, M.,Kaynak, F. B.,Hosgoeren, H.,Oezbey, S.
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p. 1014 - 1024
(2007/10/03)
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- Amino group containing phenol derivative
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An object of the present invention is to provide a material which resolves the drawbacks associated with polyimide polymers, and yet retains the advantages offered by conventional polyimide polymers. ???An amino group containing phenol derivative of the p
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Page/Page column 14
(2010/02/07)
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- Heterocalixarenes. 1. Calix[2]uracil[2]arene: Synthesis, X-ray Structure, Conformational Analysis, and Binding Character
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1,3-Bis[(1-uracilyl)methyl)]benzene derivatives 3, formed by selective N-1 alkylation of 1,3-bis(trimethylsilyloxy)pyrimidine with 1,3-bis(bromomethyl)benzene derivatives 2, on cyclization with the same or different derivative of 2, provide calix[2]uracil
- Kumar, Subodh,Hundal, Geeta,Paul, Dharam,Hundal, Maninder Singh,Singh, Harjit
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p. 7717 - 7726
(2007/10/03)
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- Synthesis of Chiral C2-Symmetric Binucleating Ligands
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The synthesis of a series of chiral enantiomerically pure C2-symmetric binucleating ligands is reported. Ligands of type 1-4, which consist of a phenolic or heterocyclic unit bridging two chiral dihydrooxazole rings, are readily accessible from
- Fahrni, Christoph J.,Pfaltz, Andreas
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p. 491 - 506
(2007/10/03)
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- Facile synthesis of calix[5]arenes with three different upper rim substituents
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Four calix[5]arenes, which have three different substituents at the upper rim of calix, are synthesized by the '3 + 2' fragmentation condensation reaction. An equimolar mixture of p-substituted phenol trimer (BCB) and 2,2'-bishydroxymethyl p-substituted p
- No, Kwanghyun,Kwon, Kyoung Mee
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p. 1293 - 1295
(2007/10/03)
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- Facile synthesis of calix[4]arenes in ABAC type upper rim substitution
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Calix[4]arenes with three different substituents in ABAC pattern at the upper rim of calix are synthesized by '3 + 1' fragmentation condensation reaction between trimer of p-substituted phenol (ABA) and 2,6-bishydroxymethylated p-substituted phenol (C).
- Kwanghyun, No,Jong, Eun Kim,Kyoung, Mee Kwon
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p. 8453 - 8456
(2007/10/02)
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- A New Synthesis of Oxacalixarene Macrocycles and Alkali-Metal-Binding Studies
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The title oxacalixarene macrocycles 1 have been synthesized in yields of 12-32percent by an acid-catalyzed, high-dilution condensation of 2,6-bis(hydroxymethyl)-p-subtituted-phenols, where R = t-Bu, i-Pr, Et, Me, and Cl.The macrocycles are isolated in high purity without chromatography, as the sodium or potassium salts of their monoanions.Metal-binding studies indicate that, like the related calixarenes, the oxacalixarenes bind alkali metals only in the presence of base (Na(1+) ca.K(1+) > Li(1+)).
- Hampton, Philip D.,Bencze, Zsolt,Tong, Weidong,Daitch, Charles E.
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p. 4838 - 4843
(2007/10/02)
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- Complexes with Macrocyclic Ligands, I. - Dinuclear Copper(II) Complexes with a Totally ?-Conjugated Macrocycle of Schiff Base Type: Syntheses, Structures, Electro-, and Magnetochemical Properties
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The dinuclear copper(II) complexes 6, 7, and 8 of three novel macrocyclic ligands were synthesized by the Schiff base condensation of 2 equiv. of 1,2-phenylenediamine and 2,6-diformylphenol in the presence of 2 equiv. of copper(II) perchlorate and were ch
- Brychcy, Klaus,Draeger, Klaus,Jens, Klaus-J.,Tilset, Mats,Behrens, Ulrich
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p. 465 - 476
(2007/10/02)
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- Valence Trapping in Mixed-Valence MnIIMnIII Complexes of a Macrocyclic Binucleating Ligand
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The electronic structures of two mixed-valence MnIIMnIII complexes, *H2O (2) and *0.5CH2Cl2 (3), and the MnII2 complex LMn2Cl2 (4) are probed.The L2- ligand is the dianion of the Schiff base
- Chang, Hsiu-Rong,Larsen, Scott K.,Boyd, Peter D. W.,Pierpont, Cortlandt G.,Hendrickson, David N.
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p. 4565 - 4576
(2007/10/02)
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- Synthesis, Characterization, and Chemical Reactivity of Soluble Bimetallomers
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The preparation, characterization, and redox chemistry of soluble Cu - Cu and Ni - Ni bimetallomers of 4-tert-butyl-2,6-bisformimdoyl>phenol with a variety of bridging ligands, Z, is described. The study of electroch
- Drago, Russell S.,Desmond, Michael J.,Corden, Barry B.,Miller, Karen A.
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p. 2287 - 2296
(2007/10/02)
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