2-((2-(pyridin-2-yl)hydrazono)methyl)-4-methylphenol | 111781-98-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-((2-(pyridin-2-yl)hydrazono)methyl)-4-methylphenol
• 英文别名: 4-methyl-2-((2-(pyridin-2-yl)hydrazono)methyl)phenol；4-Methyl-2-[(pyridin-2-ylhydrazinylidene)methyl]phenol
• CAS: 111781-98-7
• 化学式: C₁₃H₁₃N₃O
• 分子量: 227.266
• InChiKey: JZOJMBXXIYMQPK-UHFFFAOYSA-N

物化性质

• 沸点：
  413.8±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  manganese(II) perchlorate hexahydrate 、 2-((2-(pyridin-2-yl)hydrazono)methyl)-4-methylphenol 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  调整单个配体系统以稳定锰的多个自旋态：基于Hy的锰（III）自旋交叉络合物的第一个实例

  摘要：

  一系列双-螯合物伪-锰八面体单核配位络合物与发色团[MNN 4 Ò 2 ] Ñ +（Ñ = 0，1）都在环境条件下该过渡金属中心的所有三个主要氧化态被生成通过使用易于调节的通用酚醛id pyr配体系统（即H 2（3,5-R 1，R 2）-L; L ＝配体）。各种取代基的性质和位置的战略组合提供了锰中心多个自旋状态的选择性，自发稳定，在仔细的晶体学研究下，这似乎部分是由于氢键相互作用的出现或不存在涉及酚盐/酚氧原子。二价络合物可分离为两种形式，即分子[Mn II {H（3,5-R 1，R 2）-L} 2 ]和离子型[Mn II {H 2（3,5-R 1，R 2）-L} {H（3,5-R 1，R 2）-L}] ClO 4，后者在去质子化时很容易转化为前者。仅当酚盐氧原子在空间上受阻于氢键结合时，才能实现较高价态的可及性。[Mn III {H（3,5- t Bu 2）-L} 2 ] ClO 4配合物是a基Mn

  DOI：

  10.1002/chem.201402634

文献信息

• Dioxomolybdenum(VI) complexes with 2-((2-(pyridin-2-yl)hydrazono)methyl)phenol and its derivatives
  作者：Sathish Kumar Kurapati、Uppala Ugandhar、Swamy Maloth、Samudranil Pal

  DOI：10.1016/j.poly.2012.05.019

  日期：2012.7

  Dioxomolybdenum(VI) complexes having the general formula cis-[MoO2(OMe)(L-n)] (1-6) with the tridentate 2-((2-(pyridin-2-yl)hydrazono)methyl)phenol and its substituted derivatives (HLn, n = 1-6) have been synthesized. Elemental analysis and various spectroscopic (IR, UV-Vis, H-1 NMR and fluorescence) measurements have been used for the characterization of the complexes. X-ray crystal structures of all the complexes, except for one, have been determined. In each of these analogous complexes, the metal centre is in a distorted octahedral N2O4 coordination sphere assembled by the meridionally spanning pyridine-N, azomethine-N and phenolate-O donor (L-n)(-), the methoxo-O and the two mutually cis oriented oxo groups. In the crystal, the complex molecules are involved in intermolecular N-H center dot center dot center dot O hydrogen bonding interactions involving the hydrazine NH and the metal coordinated methoxo-O. In four structures, discrete dimeric units are formed through a pair of reciprocal N-H center dot center dot center dot O hydrogen bonds, while N-H center dot center dot center dot O bridged molecules form a linear one-dimensional polymeric assembly in the fifth structure. (c) 2012 Elsevier Ltd. All rights reserved.
• Synthesis and structures of ruthenium(III) complexes with 4-R-2-((2-(pyridin-2-yl)hydrazono)methyl)phenol
  作者：Koppanathi Nagaraju、Raji Raveendran、Satyanarayan Pal、Samudranil Pal

  DOI：10.1016/j.poly.2011.11.030

  日期：2012.2

  The ruthenium(III) complexes [Ru(L-n)(2)]ClO4 with 4-R-2-((2-(pyridin-2-yl)hydrazono)methyl)phenol (HLn; R = H, Cl, Br, Me and OMe) have been synthesized. Microanalysis, magnetic susceptibility and various spectroscopic (IR, UV-Vis and EPR) measurements have been used for the characterization of these complexes. The molecular structures of all the complexes, except for the complex where R = Br, have been confirmed by a single crystal X-ray diffraction study. The metal centers in these complex cations are in a distorted octahedral N4O2 environment formed by the pyridine-N, the imine-N and the phenolate-O donor (L-n)(-) ligands. Intermolecular hydrogen-bonding assisted supramolecular structures assembled by the solvated complexes range from dimeric to one-dimensional chain to two-dimensional sheet structures. (C) 2011 Elsevier Ltd. All rights reserved.
• Tuning a Single Ligand System to Stabilize Multiple Spin States of Manganese: A First Example of a Hydrazone-Based Manganese(III) Spin-Crossover Complex
  作者：Musa S. Shongwe、Kaltham S. Al-Barhi、Masahiro Mikuriya、Harry Adams、Michael J. Morris、Eckhard Bill、Kieran C. Molloy

  DOI：10.1002/chem.201402634

  日期：2014.7.28

  converting easily into the former complex on deprotonation. Accessibility of the higher‐valent states is achievable only when the phenolate oxygen atom is sterically hindered from participation in hydrogen bonding. The [MnIIIH(3,5‐tBu2)‐L}2]ClO4 complex is the first example of a hydrazone‐based MnIII complex to exhibit spin crossover. Formation of the tetravalent complexes [MnIV(3,5‐R1,R2)‐L}2] (R1=tBu

  一系列双-螯合物伪-锰八面体单核配位络合物与发色团[MNN 4 Ò 2 ] Ñ +（Ñ = 0，1）都在环境条件下该过渡金属中心的所有三个主要氧化态被生成通过使用易于调节的通用酚醛id pyr配体系统（即H 2（3,5-R 1，R 2）-L; L ＝配体）。各种取代基的性质和位置的战略组合提供了锰中心多个自旋状态的选择性，自发稳定，在仔细的晶体学研究下，这似乎部分是由于氢键相互作用的出现或不存在涉及酚盐/酚氧原子。二价络合物可分离为两种形式，即分子[Mn II H（3,5-R 1，R 2）-L} 2 ]和离子型[Mn II H 2（3,5-R 1，R 2）-L} H（3,5-R 1，R 2）-L}] ClO 4，后者在去质子化时很容易转化为前者。仅当酚盐氧原子在空间上受阻于氢键结合时，才能实现较高价态的可及性。[Mn III H（3,5- t Bu 2）-L} 2 ] ClO 4配合物是a基Mn