三(5-叔丁基-2-羟基-3-甲基苯基)甲烷 | 862851-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 中文名称: 三(5-叔丁基-2-羟基-3-甲基苯基)甲烷
• 英文名称: tris(5-tert-butyl-2-hydroxy-3-methylphenyl)methane
• 英文别名: tris(3-methyl-5-tert-butylphenoxy)methane；2-[Bis(5-tert-butyl-2-hydroxy-3-methylphenyl)methyl]-4-tert-butyl-6-methylphenol
• CAS: 862851-02-3
• 化学式: C₃₄H₄₆O₃
• 分子量: 502.737
• InChiKey: HVHFOTSTNWDEQT-UHFFFAOYSA-N

物化性质

• 熔点：
  335-340 °C (decomp)
• 沸点：
  582.1±45.0 °C(Predicted)
• 密度：
  1.054±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  三(5-叔丁基-2-羟基-3-甲基苯基)甲烷 在 镍 氢气 、 硝酸 、 potassium carbonate 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 氯仿 、 乙腈 为溶剂， 反应 182.0h， 生成 tris(5-diphenylphosphorylacetamido-2-pentoxy-3-methylphenyl)methane
  参考文献：
  名称：

  Carbamoylmethylphosphinoxide Derivatives Based on the Triphenylmethane Skeleton. Synthesis and Extraction Properties

  摘要：

  Two different strategies were used to synthesize tri(2-alkoxy-5-nitrophenyl)methanes 6a,b. The X-ray structures of 6a and its precursor 5 show the molecules in a conformation with a syn-orientation of the nitro and alkoxy groups. Hydrogenation and acylation by the appropriate active ester gave the corresponding tri-CMPO derivatives 4a,b. Their ability to complex lanthanide ions was studied by NMR spectroscopy and by nuclear magnetic relaxation dispersion and further characterized by quantum mechanical calculations. Extraction experiments from acidic solution to dichloromethane reveal a reasonable selectivity of Am(III) over Eu(III), but in contrast to similar tetra-CMPOs derivatives of calix[4]arenes the distribution coefficients strongly decrease with increasing concentration of HNO3.

  DOI：

  10.1021/jo050717a
• 作为产物：
  描述：

  2-羟基-4-甲基苯甲醛 在 硫酸 、 溶剂黄146 作用下， 反应 6.0h， 生成 三(5-叔丁基-2-羟基-3-甲基苯基)甲烷
  参考文献：
  名称：

  Carbamoylmethylphosphinoxide Derivatives Based on the Triphenylmethane Skeleton. Synthesis and Extraction Properties

  摘要：

  Two different strategies were used to synthesize tri(2-alkoxy-5-nitrophenyl)methanes 6a,b. The X-ray structures of 6a and its precursor 5 show the molecules in a conformation with a syn-orientation of the nitro and alkoxy groups. Hydrogenation and acylation by the appropriate active ester gave the corresponding tri-CMPO derivatives 4a,b. Their ability to complex lanthanide ions was studied by NMR spectroscopy and by nuclear magnetic relaxation dispersion and further characterized by quantum mechanical calculations. Extraction experiments from acidic solution to dichloromethane reveal a reasonable selectivity of Am(III) over Eu(III), but in contrast to similar tetra-CMPOs derivatives of calix[4]arenes the distribution coefficients strongly decrease with increasing concentration of HNO3.

  DOI：

  10.1021/jo050717a

文献信息

• Structural Diversity of Tris(2‐hydroxy­aryl)methane‐Derived Aluminium Complexes
  作者：Masataka Oishi、Yuri Ichinose、Nobuyoshi Nomura

  DOI：10.1002/ejic.201501438

  日期：2016.4

  However, for aluminium, only trinuclear complexes have previously been reported. To investigate the possibility of also developing both mono- and dinuclear aluminium complexes, the reactions of Et3Al and tris(2-hydroxyaryl)methanes have been examined under various conditions. In this work, trialuminium complex 1b was formed by disproportionation of the initially generated monomeric complex 2′ (Al/ligand

  三（2-羟基芳基）甲烷配体以多种方式与主族金属和过渡金属配位。然而，对于铝，之前仅报道了三核配合物。为了研究同时开发单核和双核铝配合物的可能性，已经在各种条件下检查了 Et3Al 和三（2-羟基芳基）甲烷的反应。在这项工作中，三铝配合物 1b 是由最初生成的单体配合物 2'（Al/配体 = 1:1）与 Et3Al 歧化形成的。该反应使我们能够选择性地合成具有不同配位模式的铝配合物 1b、2、5 和 7。此外，在适当的条件下，单核配合物5b在C6D6中经历重排以产生三(芳氧基)配合物8。
• Synthesis and reactivity of a C3-symmetric trinuclear zinc(ii) hydroxide catalyst efficient at phosphate diester transesterification
  作者：Ranjan Mitra、Matthew W. Peters、Michael J. Scott

  DOI：10.1039/b706386e

  日期：——

  observed differences in the pH-rate profile can be attributed to the varying concentration of various trinuclear zinc species. The trinuclear Zn(II) catalyst exhibits a higher hydrolytic activity compared to its mononuclear analogue. The reactivity and structural features of this trinuclear Zn(II) complex will be discussed.

  受酶系统中三核Zn（II）位点的启发，已开发出一种配体系统，该系统包含三个锚定在刚性C 3对称三苯氧基甲烷平台上的预组织的（2-吡啶基）甲基哌嗪部分，用于将三个锌离子预组织到有利于分子内的环境中相互作用。已通过在50％（v / v）CH 3 CN–H 2 O溶液中的电位测量法分析了该配体与锌（II）的结合。随后，ç 3 -对称三核的Zn（II）的氢氧化复合物的的Ç 3合成了对称的配体，并使用NMR光谱和X射线晶体学对其进行了全面表征。该复合物在RNA模型底物2-羟丙基-对硝基苯基磷酸酯（HPNP，pH 6.7，25°C）的催化环化反应中，具有超过16900倍的速率增强，超过了具有多个催化剂转换的未催化反应。观察到的pH速率分布差异可归因于各种三核锌物质浓度的变化。与单核类似物相比，三核Zn（II）催化剂具有更高的水解活性。将讨论这种三核Zn（II）配合物的反应性和结构特征。