2-hydroxy-5-methyl-1,3-benzenedicarboxaldehydebis(benzohydrazone) | 126672-94-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-hydroxy-5-methyl-1,3-benzenedicarboxaldehydebis(benzohydrazone)
• 英文别名: bisbenzoylhydrazone of 2,6-diformyl-4-methyl-phenol；2,6-diformyl-4-methylphenol di(benzoy1hydrazone)；2,6-diformyl-4-methylphenol di(benzoylhydrazone)；2,6-diformyl-4-methylphenoldi(benzoylhydrazone)；N-[[3-[(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methylphenyl]methylideneamino]benzamide
• CAS: 126672-94-4
• 化学式: C₂₃H₂₀N₄O₃
• 分子量: 400.437
• InChiKey: JXULYGLESOOVGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫酸氧钒水合物 、 2-hydroxy-5-methyl-1,3-benzenedicarboxaldehydebis(benzohydrazone) 以 甲醇 、 水 为溶剂， 以55%的产率得到
  参考文献：
  名称：

  2,6-二甲酰基-4-甲基苯酚双(苯甲酰腙)双核氧钒(IV)配合物的合成及磁性

  摘要：

  已合成双核氧钒 (IV) 络合物 [(VO)2L(OCH3)]，其中 H3L 表示 2,6-二甲酰基-4-甲基苯酚双（苯甲酰腙）。两个金属离子由 L3 的酚氧和一个甲醇氧桥接。低温磁测量 (80–300 K) 表明氧钒 (IV) 离子之间存在反铁磁自旋交换相互作用 (J=-191.3 cm-1)。

  DOI：

  10.1246/bcsj.63.1830
• 作为产物：
  描述：

  对甲酚 在 乌洛托品 、 硫酸 作用下， 生成 2-hydroxy-5-methyl-1,3-benzenedicarboxaldehydebis(benzohydrazone)
  参考文献：
  名称：

  Phenoxo bridged tetranuclear copper(II) and dinuclear zinc(II) complexes of 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): Synthesis, structure, spectra and magnetism

  摘要：

  Phenoxo bridged tetranuclear Cu(II) and dinuclear Zn(II) complexes are synhesized namely, Cu-4[(L) 2 (OCH3)(2)] (1) and Zn-2(HL)(2) (2) (H-3 L = [(HOC6H2CH3){2,6-(CH=N-N=C(OH)(C6H5))(CH=N-N=C(OH) (C6H5))}]) and characterized by FTIR, UV-Vis, H-1 NMR, fluorescence and mass spectrometry. Single crystal X-ray diffraction analysis of 1 shows that the Cu atom possesses a square pyramid environment via bridging of `phenolato'-O and `enolato'-O of the ligand, additional bridging of `methanolato'-O of coordinated CH3OH and monodentate coordination of imine-N. The EPR spectrum of 1 are characterized by g parallel to = 2.286, A(parallel to) = 169 x 10(-4) cm(-1), g(parallel to) = 2.068, A(perpendicular to) = 17 x 10(-4) cm(-1) (298 K) and g(parallel to) = 2.283, A parallel to = 178 x 10(-4) cm(-1), g(perpendicular to) = 2.072, A(perpendicular to) = 15 x 10(-4) cm(-1) (77 K). The study of the variable temperature magnetic properties agrees with a predominant intramolecular antiferromagnetic coupling (2J = -186.5 cm(-1)), rendering a ground state of S = 0. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2014.01.013

文献信息

• Oxidation of secondary alcohols by conventional and microwave-assisted methods using molybdenum complexes of ONO donor ligands
  作者：Mannar R. Maurya、Sarita Dhaka、Fernando Avecilla

  DOI：10.1039/c4nj02208d

  日期：——

  Oxidation of secondary alcohols by conventional liquid phase and microwave-assisted methods using molybdenum complexes is reported.

  二级醇通过传统液相和微波辅助方法在钼配合物的作用下被氧化。
• Triply phenoxo bridged Eu(<scp>iii</scp>) and Sm(<scp>iii</scp>) complexes with 2,6-diformyl-4-methylphenol-di(benzoylhydrazone): structure, spectra and biological study in human cell lines
  作者：Kuheli Das、Soumendra Nandi、Sudipa Mondal、Tulin Askun、Zerrin Cantürk、Pinar Celikboyun、Chiara Massera、Eugenio Garribba、Amitabha Datta、Chittaranjan Sinha、Takashiro Akitsu

  DOI：10.1039/c4nj01464b

  日期：——

  Two dinuclear lanthanide(iii) complexes, [M₂(HL)₃] (M = Sm(iii) (1), Eu(iii) (2); H₃L, 2,6-diformyl-4-methylphenol-di(benzoylhydrazone)) were generated with good yield and characterised systematically.

  两个双核镧系元素（iii）配合物，[M₂(HL)₃] (M = Sm(iii) (1), Eu(iii) (2); H₃L, 2,6-双甲酰基-4-甲基苯酚-二（苯甲酰肼）)) 以良好的产率合成并进行了系统表征。
• Crystal structures and magnetic properties of bi- and tetra-nuclear copper(<scp>II</scp>) complexes of 2,6-diformyl-4-methylphenol di(benzoylhydrazone)
  作者：Masatomi Sakamoto、Shoichi Itose、Tomitaro Ishimori、Naohide Matsumoto、Hisashi Ōkawa、Sigeo Kida

  DOI：10.1039/dt9890002083

  日期：——

  The crystal structures of the bi- and the tetra-nuclear copper(II) complexes [Cu2L(OCH3)]·dmf (1) and [Cu2L(OH)·dmf}2](2) have been determined, where H3L denotes 2,6-diformyl-4-methyl-phenol di(benzoylhydrazone). Complex (1) assumes a binuclear structure, in which two copper(II) ions are bridged by an endogenous phenolic oxygen atom of the dinucleating ligand L and an exogenous methoxide oxygen atom

  双核和四核铜（II）配合物[Cu 2 L（OCH 3）]·dmf（1）和[Cu 2 L（OH）·dmf} 2 ]（2）的晶体结构已经确定。确定，其中H 3 L表示2，6-二甲酰基-4-甲基-苯酚二（苯甲酰基yl）。配合物（1）呈现双核结构，其中两个铜（II）离子被成核配体L的内源性酚氧原子和外源性甲氧基氧原子桥接。两个分子平行堆叠在晶体中，其中最短的分子间Cu⋯Cu和Cu⋯O距离分别为3.572（1）和3.645（5）Å。复杂（2）假设四核结构由两个对称中心相关的双核单元组成。晶体学上独特的双核单元中的两个铜（II）离子被内源性酚氧原子和外源性氢氧化物氧原子桥接。氢氧化物氧还与相邻的双核单元的铜（II）离子的轴向位置配位，该位置与对称中心有关，键距为2.322（5）Å。可以通过基于Heisenberg模型（H = –2 J S 1 S 2，S 1 = S 2 = 1/2）的等式，用参数重现复合物（1）和（2）（80–300
• Synthesis and Spectroscopic Investigations of Lanthanide(III) Nitrate Complexes with Ligands Obtained from 2,6-diformyl-4-methylphenol
  作者：Vidyanand N. Ankolekar、Vinayak B. Mahale

  DOI：10.1080/00945710009351828

  日期：2000.8.1
• ——
  作者：V. V. Lukov、S. I. Levchenkov、I. N. Shcherbakov、S. V. Posokhova、V. A. Kogan

  DOI：10.1023/a:1009587502176

  日期：——

  A series of binuclear Cu(II) complexes with bisbenzoylhydrazones of 2,6-diformyl-4-R-phenols (R = OCH3, CH3, CH2Ph, Cl, Br, CO2CH3) with H2LCu2(NO3)(2)(OCH3) composition, where H2L- are monodeprotonated bishydrazones, was synthesized. The structure of the obtained complexes was established using IR spectroscopy and conductometric and magnetochemical data. The title complexes were shown to exhibit exchange interaction of the antiferromagnetic type. Results of quantum-chemical calculations of structures modeling the state of a ligand in the complex were used to discuss the effect of substituent R nature on magnetic exchange in the complexes.