[[Tert-butyl-(phenylsulfanylmethyl)-[2,4,6-tri(propan-2-yl)phenyl]germyl]-phenylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane | 1569894-78-5

• 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: [[Tert-butyl-(phenylsulfanylmethyl)-[2,4,6-tri(propan-2-yl)phenyl]germyl]-phenylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane
• 英文别名: [[tert-butyl-(phenylsulfanylmethyl)-[2,4,6-tri(propan-2-yl)phenyl]germyl]-phenylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane
• CAS: 1569894-78-5
• 化学式: C₅₁H₇₃GePS
• 分子量: 821.77
• InChiKey: MRJXPABUTBMOOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.77
• 重原子数：
  54
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (2,4,6-triisopropylphenyl)(t-Bu)Ge(F)C(Cl)P(2,4,6-tri-tert-butylphenyl) 在 正丁基锂 、 叔丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 正戊烷 为溶剂， 反应 0.67h， 生成 [[Tert-butyl-(phenylsulfanylmethyl)-[2,4,6-tri(propan-2-yl)phenyl]germyl]-phenylmethylidene]-(2,4,6-tritert-butylphenyl)phosphane
  参考文献：
  名称：

  Comparison of reactivity of phosphagermaallene Tip(t-Bu)GeCPMes* towards sulfur ylides

  摘要：

  Phosphagermaallene 1, Tip(t-Bu)Ge=C=PMes* (Tip = 2,4,6-triisopropylphenyl, Mes* = 2,4,6-tri-tertbutylphenyl), reacts with diphenylsulfoniumylide (Ph2S=CH2) leading to adduct 2, through a nucleophilic attack of the negatively charged carbon atom of the ylide on the positively charged germanium atom followed by a migration of one of the phenyl groups. By contrast, dimethyloxosulfoniummethylide (Me2S(O)=CH2) appears much less reactive towards 1: it preferentially undergoes an in-situ oxidation of THF leading to a gamma-butyrolactone intermediate which gives a [2+2] cycloaddition by the C=O group with the Ge=C double bond to form 3. The new compounds 2 and 3 were completely characterized by multinuclear NMR spectroscopy and by single crystal X-ray structural analysis. (C) 2014 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.01.003