[3,6-dimethyl-8-[phenyl-phenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]carbazol-9-id-1-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;lutetium(3+);methanidyl(trimethyl)silane;oxolane | 1194952-88-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [3,6-dimethyl-8-[phenyl-phenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]carbazol-9-id-1-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;lutetium(3+);methanidyl(trimethyl)silane;oxolane
• CAS: 1194952-88-9
• 化学式: C₆₄H₇₀LuN₃OP₂Si
• 分子量: 1162.28
• InChiKey: AXAHHLOWKJHXAW-QHSQCOHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.73
• 重原子数：
  72
• 可旋转键数：
  7
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  以 四氢呋喃 、 甲苯 为溶剂， 生成 [3,6-dimethyl-8-[phenyl-phenyl-(4-propan-2-ylphenyl)imino-λ5-phosphanyl]carbazol-9-id-1-yl]-diphenyl-(4-propan-2-ylphenyl)imino-λ5-phosphane;lutetium(3+);methanidyl(trimethyl)silane;oxolane
  参考文献：
  名称：

  Synthesis and Reactivity of Dialkyl Lutetium Complexes Supported by a Novel Bis(phosphinimine)carbazole Pincer Ligand

  摘要：

  The synthesis of a novel bis(phosphinimine) ancillary ligand based on a carbazole framework is described (HLPh, 4a; HLPipp, 4b; Ph = phenyl, Pipp = para-isopropylphenyl). Protonolysis with Lu-(CH2SiMe3)(3)(THF)(2) afforded the corresponding lutetium dialkyl complexes (LuLPh(CH2SiMC3)(2), 5a; LuLPipp(CH2SiMe3)(2), 5b), which were thermally sensitive and rapidly underwent intramolecular metalative alkane elimination to generate LuLPh*(CH2SiMC3)(THF), 6a, and LuLPipp*(CH2SiMe3)-(THF), 6b, as highly reactive intermediates. Complexes 6a and 6b further decomposed, cleanly generating doubly metalated complexes LuLPh**(THF), 7a, and LuLPipp**(THF), 7b, respectively, as the thermodynamic products. Kinetic analysis of the decomposition of 5a revealed a first-order mechanism with activation parameters Delta H = 19.2(l) kcal. mol(-1) and Delta S* = -8.2(2) cal.K-1.mol(-1). Compounds 4a, 4b, 6b, and 7b were characterized by single-crystal X-ray diffraction studies.

  DOI：

  10.1021/om900731x