sodium 2,6-bis-4-methylphenolate | 329266-31-1

• 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: sodium 2,6-bis-4-methylphenolate
• 英文别名: sodium 2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenolate；2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenoxy Na
• CAS: 329266-31-1
• 化学式: C₂₁H₃₇N₂NaO₅
• 分子量: 420.525
• InChiKey: LCRYXQDVANNTOW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.74
• 重原子数：
  29.0
• 可旋转键数：
  16.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.46
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 sodium 2,6-bis-4-methylphenolate 、 manganese(II) benzoate dihydrate 以 甲醇 为溶剂， 以48%的产率得到
  参考文献：
  名称：

  具有四个甲氧基乙基螯合臂的无环酚基双核配体的锰（II）配合物：合成，结构，磁性和电化学

  摘要：

  双核锰（II）配合物[Mn 2（bomp）（PhCO 2）2 ] BPh 4（1），[Mn 2（bomp）（MeCO 2）2 ] BPh 4（2）和[Mn 2（bomp）（用双核配体2，6-双[双（2-甲氧基乙基）氨基甲基] -4-甲基苯酚[H（bomp）]合成了PhCO 2）2 ] PF 6（3）。双核锌络合物[Zn 2（bomp）（PhCO 2）2 ] PF 6（4出于比较的目的也被合成。X射线分析表明，配合物1 ·CHCl 3含有两个被酚氧桥连的锰离子和两个苯甲酸酯基，形成一个μ-苯氧基-双（μ-苯甲酰基）二锰（II）核。的磁化率测量1 - 3的温度范围内1.8-300 K表示反铁磁相互作用（Ĵ = -4至-6厘米-1）。3的循环伏安图显示，在+0.9 V下，相对于饱和氯化钠甘汞参比电极，准可逆氧化过程被指定为Mn II Mn II / Mn II Mn III。

  DOI：

  10.1016/s0020-1693(00)00277-2
• 作为产物：
  描述：

  聚合甲醛 、 对甲酚 、 双(2-甲氧基乙基)胺 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 以23%的产率得到sodium 2,6-bis-4-methylphenolate
  参考文献：
  名称：

  Dinuclear zinc(II) complex of a new acyclic phenol-based dinucleating ligand with four methoxyethyl chelating arms: first dizinc model with aminopeptidase function

  摘要：

  一种具有四个甲氧基乙基螯合臂的新型端关型无环配体--2,6-双[双（2-甲氧基乙基）氨基甲基]-4-甲基苯酚（Hbomp）形成了双核锌（II）配合物[Zn2(bomp)(MeCO2)2]BPh4 1。X 射线分析表明，络合物 1-CHCl3 含有两个锌离子，由酚氧和两个醋酸基桥接，形成一个 µ-苯氧基-双（µ-乙酰基）二锌（II）核心。以 N-对硝基苯-L-亮氨酸为底物，对复合物 1 的氨肽酶功能进行了估算。底物水解释放出的对硝基苯胺在复合物和底物浓度下都是一阶的，k = 2.3(1) × 10-3 dm3 mol-1 s-1。

  DOI：

  10.1039/a808055k

文献信息

• Formation of polar crystals of a chiral dinuclear nickel(II) complex and their pyroelectric effect and electro-optic effect
  作者：Hiroshi Sakiyama、Mikio Yamasaki、Tetsuya Suzuki、Yoshio Watanabe、Rie Ito、Akimasa Ohnishi、Yuzo Nishida

  DOI：10.1016/j.inoche.2005.10.001

  日期：2006.1

  Polar crystals were formed using a chiral dinuclear nickel(II) complex [Ni,(bomp)(R/S-OCOCH(CH3)Ph)(2)]BPh4 as a building unit. [H(bomp): 2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenol; H(R/S-OCOCH(CH3)Ph): R/S-2-phenylpropionic acid]. Single-crystal X-ray analysis revealed that the symmetry of the crystal was C, and the complex cations were orientated along the polar axis. The crystals showed pyroelectric and second-order electro-optic effects, which are characteristic of polar materials. (c) 2005 Elsevier B.V. All rights reserved.
• Synthesis, structure, and magnetic properties of dinuclear nickel(II) complexes with a phenol-based dinucleating ligand with four methoxyethyl chelating arms
  作者：Hiroshi Sakiyama、Tetsuya Suzuki、Kazuhide Ono、Rie Ito、Yoshio Watanabe、Mikio Yamasaki、Masahiro Mikuriya

  DOI：10.1016/j.ica.2004.12.012

  日期：2005.3

  Dinuclear nickel(II) complexes [Ni-2(bomp)(MeCO2)(2)]BPh4 (1) and [Ni-2(bomp)(PhCO2)(2)]BPh4 (2) were synthesized with the dinucleating ligand 2,6-bis[bis(2-methoxyethyl)aminomethyl]-4-methylphenoI [H(bomp)]. X-Ray analysis revealed that the complex 1 center dot 0.5CHCl(3) contains two nickel(II) ions bridged by phenolic oxygen and two acetate groups, forming a mu-phenoxo-bis(mu-acetato)dinickel(II) core. Electronic spectra were investigated for I and 2 in the range of 400-1800 nm, and the data were typical for the octahedral high-spin nickel(II) complexes. Obtained spectral components were well simulated based on the angular overlap model assuming the trigonally distorted octahedral geometry. Magnetic susceptibility was measured for 1 and 2 over a temperature range of 4.5-300 K. The optimized magnetic data were J = 1.75 cm(-1) zJ' = -0.234 cm(-1) g = 2.21, D = 15.1 cm(-1) and TIP = 370 x 10(-6) cm(-1) for complex 1 and J = 3.55 cm(-1), zJ'= -0.238 cm(-1), g = 2.23, D = 21.8 cm(-1), and TIP = 470 x 10(-6) cm(-1) for complex 2. The data revealed ferromagnetic interactions between the two nickel(II) ions. (c) 2004 Elsevier B.V. All rights reserved.
• 10.1002/1099-0682(200108)2001:8<2027::aid-ejic2027<3.0.co;2-z
  作者：Sakiyama, Hiroshi、Ito, Rie、Kumagai, Hitoshi、Inoue, Katsuya、Sakamoto, Masatomi、Nishida, Yuzo、Yamasaki, Mikio

  DOI：10.1002/1099-0682(200108)2001:8<2027::aid-ejic2027<3.0.co;2-z

  日期：——