[(1,8-(C6H4(Ph)P=N(p-isopropylphenyl))2-3,6-dimethylcarbazolide-κ3N)Lu(THF)] | 1194952-85-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: [(1,8-(C6H4(Ph)P=N(p-isopropylphenyl))2-3,6-dimethylcarbazolide-κ3N)Lu(THF)]
• CAS: 1194952-85-6
• 化学式: C₆₀H₅₈LuN₃OP₂
• 分子量: 1074.05
• InChiKey: YGISBHGKUWDNKN-MWZRJEOUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(1,8-(C6H4(Ph)P=N(p-isopropylphenyl))2-3,6-dimethylcarbazolide-κ3N)Lu(THF)] 、 2,4,6-三甲基苯胺 以 氘代甲苯 为溶剂， 生成 [(1,8-(Ph2P=N(p-isopropylphenyl))2-3,6-dimethylcarbazolide-κ3N,κC)Lu(NH-2,4,6-(t-Bu)3C6H2)]
  参考文献：
  名称：

  邻位金属化的Ar芳基配合物中金属环开环的动力学和机理研究

  摘要：

  反应性涉及邻位金属化的双（膦）carbazolide络合物的金属环开环（大号博士-κ 3 Ñ，κ 2 Ç P-博士）路（THF）（1A）和（大号PIPP -κ 3 Ñ，κ 2 Ç P -Ph）Lu（THF）（1b）; 大号= [1,8-二（PH 2 P═NAr）2 DMC]; Ar = Ph（L Ph），对异丙基苯基（L Pipp）; 描述了dmc ＝ 3，6-二甲基咔唑化物。1a，b的反应与笨重的苯胺（2,4,6-三甲基苯胺，MesNH 2； 2,4,6-三异丙基苯胺，TripNH 2）促进两个邻位金属化对苯基的金属环开环，从而释放出双（苯胺）产物（L Ph -κ 3 ñ）路（NHMes）2（2）和（大号PIPP -κ 3 ñ）路（NHTrip）2（3）。不管所用的TripNH 2或MesNH 2的量如何，总是以双环开环来提供双（苯胺）产物，而不是单（苯胺）产物。相反，络合物1b的反应与笨重试剂-2

  DOI：

  10.1021/om100814h
• 作为产物：
  描述：

  [8-[diphenyl-(4-propan-2-ylphenyl)imino-lambda5-phosphanyl]-3,6-dimethyl-9H-carbazol-1-yl]-diphenyl-(4-propan-2-ylphenyl)imino-lambda5-phosphane 以 氘代甲苯 为溶剂， 生成 [(1,8-(C6H4(Ph)P=N(p-isopropylphenyl))2-3,6-dimethylcarbazolide-κ3N)Lu(THF)]
  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