μ-oxo-bis[(2,4,6-trinitro)phenolato-1,1,2,3,4,5-hexahydrotellurophene]

• 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: μ-oxo-bis[(2,4,6-trinitro)phenolato-1,1,2,3,4,5-hexahydrotellurophene]
• 英文别名: 1-(2,4,6-Trinitrophenoxy)-1-[[1-(2,4,6-trinitrophenoxy)-1lambda4-tellurolan-1-yl]oxy]-1lambda4-tellurolane；1-(2,4,6-trinitrophenoxy)-1-[[1-(2,4,6-trinitrophenoxy)-1λ4-tellurolan-1-yl]oxy]-1λ4-tellurolane
• 化学式: C₂₀H₂₀N₆O₁₅Te₂
• 分子量: 839.61
• InChiKey: DDIDGLBLAWYVOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  303
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  1,1,2,3,4,5-hexahydro-1,1-(dihydroxo)tellurophene 、 苦味酸 以 水 为溶剂， 反应 24.0h， 以28.7%的产率得到μ-oxo-bis[(2,4,6-trinitro)phenolato-1,1,2,3,4,5-hexahydrotellurophene]
  参考文献：
  名称：

  Synthesis, spectral and structural characterisation of ditelluroxanes: μ-oxo-bis[nitrato-; 2,4,6-trinitrophenolato-dialkyl tellurium (IV)]

  摘要：

  The synthesis of ditelluroxanes: mu-oxo-bis[nitrato dimethyl tellurium (IV)] [(CH3)(2)TeNO3](2)O (1), mu-oxo-bis[(2,4,6-trinitro)phenolato dimethyl tellurium (IV)] [(CH3)(2)TeOC6H2(NO2)(3)](2)O (2) and mu-oxo-bis[1-(2,4,6-trinitro)phenolato-1,1,2,3,4,5-hexahydrotellurophene] [C4H8TeOC6H2(NO2)(3)](2)O (3) was achieved. 1 was synthesised by the reaction of (CH3)(2)TeI2 with fuming HNO3 while 2 and 3 were synthesised by the reactions of R2Te(OH)(2) [R-2 = (CH3)(2), (C4H8)] (in situ) with 2,4,6-trinitrophenol [2,4,6-(NO2)(3)C6H2OH] (picric acid). 1-3 have been investigated through UV/Vis; FT-IR, (H-1, C-13) NMR spectroscopy and single crystal X-ray diffraction studies. In 1-3 the immediate coordination geometry about the central tellurium atom can be described as pseudo trigonal bipyramidal and the stereochemically active electron lone pair occupying equatorial position. The supramolecular self-organisations of these tetraorgano ditelluroxanes (1-3) are explained through cooperative participation of Te center dot center dot center dot O secondary bonds, C-H center dot center dot center dot O hydrogen bonds and pi-stacking of the organic substituents. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.02.026

文献信息

• Synthesis, spectral and structural characterisation of ditelluroxanes: μ-oxo-bis[nitrato-; 2,4,6-trinitrophenolato-dialkyl tellurium (IV)]
  作者：Prakash C. Srivastava、Sangeeta Bajpai、Chhabi Ram、Rajesh Kumar、Ray J. Butcher

  DOI：10.1016/j.jorganchem.2007.02.026

  日期：2007.5

  The synthesis of ditelluroxanes: mu-oxo-bis[nitrato dimethyl tellurium (IV)] [(CH3)(2)TeNO3](2)O (1), mu-oxo-bis[(2,4,6-trinitro)phenolato dimethyl tellurium (IV)] [(CH3)(2)TeOC6H2(NO2)(3)](2)O (2) and mu-oxo-bis[1-(2,4,6-trinitro)phenolato-1,1,2,3,4,5-hexahydrotellurophene] [C4H8TeOC6H2(NO2)(3)](2)O (3) was achieved. 1 was synthesised by the reaction of (CH3)(2)TeI2 with fuming HNO3 while 2 and 3 were synthesised by the reactions of R2Te(OH)(2) [R-2 = (CH3)(2), (C4H8)] (in situ) with 2,4,6-trinitrophenol [2,4,6-(NO2)(3)C6H2OH] (picric acid). 1-3 have been investigated through UV/Vis; FT-IR, (H-1, C-13) NMR spectroscopy and single crystal X-ray diffraction studies. In 1-3 the immediate coordination geometry about the central tellurium atom can be described as pseudo trigonal bipyramidal and the stereochemically active electron lone pair occupying equatorial position. The supramolecular self-organisations of these tetraorgano ditelluroxanes (1-3) are explained through cooperative participation of Te center dot center dot center dot O secondary bonds, C-H center dot center dot center dot O hydrogen bonds and pi-stacking of the organic substituents. (c) 2007 Elsevier B.V. All rights reserved.