mesitylbis(2,4,6-triisopropylphenyl)phosphine | 1422965-12-5

• 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: mesitylbis(2,4,6-triisopropylphenyl)phosphine
• 英文别名: (2,4,6-Trimethylphenyl)-bis[2,4,6-tri(propan-2-yl)phenyl]phosphane；(2,4,6-trimethylphenyl)-bis[2,4,6-tri(propan-2-yl)phenyl]phosphane
• CAS: 1422965-12-5
• 化学式: C₃₉H₅₇P
• 分子量: 556.855
• InChiKey: HTEHJWMYPCDNNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  silver tetrakis([2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethyl]oxy)aluminate 、 mesitylbis(2,4,6-triisopropylphenyl)phosphine 以 二氯甲烷 为溶剂， 反应 24.0h， 以74%的产率得到
  参考文献：
  名称：

  Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations

  摘要：

  Salts containing triarylphosphine radical cations 1(center dot+) and 2(center dot+) have been isolated and characterized by electron paramagnetic resonance (EPR) and UV-vis absorption spectroscopy as well as single-crystal X-ray diffraction. Radical 1(center dot+) exhibits a relaxed pyramidal geometry, while radical 2(center dot+) becomes fully planar. EPR studies and theoretical calculations showed that the introduction of bulky aryl groups leads to enhanced p character of the singly occupied molecular orbital, and the radicals become less pyramidalized or fully flattened.

  DOI：

  10.1021/ja4012113
• 作为产物：
  描述：

  2-溴-1,3,5-三甲基苯 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 反应 49.0h， 生成 mesitylbis(2,4,6-triisopropylphenyl)phosphine
  参考文献：
  名称：

  Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations

  摘要：

  Salts containing triarylphosphine radical cations 1(center dot+) and 2(center dot+) have been isolated and characterized by electron paramagnetic resonance (EPR) and UV-vis absorption spectroscopy as well as single-crystal X-ray diffraction. Radical 1(center dot+) exhibits a relaxed pyramidal geometry, while radical 2(center dot+) becomes fully planar. EPR studies and theoretical calculations showed that the introduction of bulky aryl groups leads to enhanced p character of the singly occupied molecular orbital, and the radicals become less pyramidalized or fully flattened.

  DOI：

  10.1021/ja4012113