dimethyl 3,5-di-tert-butylbenzylphosphonate | 261962-05-4

• 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: dimethyl 3,5-di-tert-butylbenzylphosphonate
• 英文别名: 1-(methylenedimethylphosphonate)-3,5-di-tert-butylbenzene；1,3-Ditert-butyl-5-(dimethoxyphosphorylmethyl)benzene
• CAS: 261962-05-4
• 化学式: C₁₇H₂₉O₃P
• 分子量: 312.389
• InChiKey: RRJDEIFAWWWPLZ-UHFFFAOYSA-N

物化性质

• 沸点：
  361.5±21.0 °C(Predicted)
• 密度：
  1.010±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dimethyl 3,5-di-tert-butylbenzylphosphonate 在 Hydroquinone 1,4-phthalazinediyl diether 、 potassium hexacyanoferrate(III) potassium osmate(VI) 、 15-冠醚-5 、 甲基磺酰胺 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 叔丁醇 为溶剂， 反应 174.0h， 生成 (S,S)-1,2-bis(3,5-di-tert-butylphenyl)ethane-1,2-diol
  参考文献：
  名称：

  Synthesis of (S,S)-1,2-Bis(3,5-DI-Tert-Butylphenyl)Ethane-1,2-Diol

  摘要：

  The synthesis of (S,S)-1,2-bis(3,5 -di-tert-butylphenyl)ethane-1,2-diol (98.6% ee), which should be useful as a chiral ligand of catalysts in asymmetric inductions, is described.

  DOI：

  10.1080/00397910008087355
• 作为产物：
  描述：

  3,5-二叔丁基甲苯 在 N-溴代丁二酰亚胺(NBS) 作用下， 反应 12.0h， 生成 dimethyl 3,5-di-tert-butylbenzylphosphonate
  参考文献：
  名称：

  Synthesis of (S,S)-1,2-Bis(3,5-DI-Tert-Butylphenyl)Ethane-1,2-Diol

  摘要：

  The synthesis of (S,S)-1,2-bis(3,5 -di-tert-butylphenyl)ethane-1,2-diol (98.6% ee), which should be useful as a chiral ligand of catalysts in asymmetric inductions, is described.

  DOI：

  10.1080/00397910008087355

文献信息

• Ultrafast Fluorescence Investigation of Excitation Energy Transfer in Different Dendritic Core Branched Structures
  作者：Ying Wang、Mahinda I. Ranasinghe、Theodore Goodson

  DOI：10.1021/ja035215y

  日期：2003.8.1

  The mechanism of energy transport in branching structures is suggestively related to the geometry of the multichromophore architecture. In organic conjugated dendrimers, both incoherent (hopping) and coherent energy transfer processes have been observed from different dendritic architectures with different building blocks. In this communication, we report the investigation of three fundamental dendritic architectures (G0) with the same attached chromophores, but with different core atoms, C, N, and P. The synthesis of a phosphorus-containing G0 system with distyrylbenzene chromophores is provided. These three systems provide a comparison by which the relative interaction of branching chromophores can be compared on the basis of their different branching centers. Ultrafast fluorescence anisotropy measurements provide a dual measure of the geometry of the chromophores around the different central units as well as the strength of the interactions among chromophores. The nitrogen-cored system appeared to have both the strongest coupling of chromophore excitation as well as the most planar geometry of the three. Interestingly, the phosphorus system appeared to have the least planar geometry, and its interaction strength was found to be stronger than that observed for the carbon system. These results provide a comparison of the energy migration dynamics of the most common and new dendritic architectures with applications for light emission and light harvesting.
• Synthesis of (<i>S,S</i>)-1,2-Bis(3,5-DI-<i>Tert</i>-Butylphenyl)Ethane-1,2-Diol
  作者：Kaori Ishimaru、Keiji Monda、Yohsuke Yamamoto、Kin-Ya Akiba

  DOI：10.1080/00397910008087355

  日期：2000.2

  The synthesis of (S,S)-1,2-bis(3,5 -di-tert-butylphenyl)ethane-1,2-diol (98.6% ee), which should be useful as a chiral ligand of catalysts in asymmetric inductions, is described.