[(N(C6H3-4-Me-2-P(CHMe2)2)2)Sc(NH(2,6-iPr2C6H3))(η2-(2,6-(CH3)2C6H3)NC(C5H4N))] | 1292296-39-9

• 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: [(N(C6H3-4-Me-2-P(CHMe2)2)2)Sc(NH(2,6-iPr2C6H3))(η2-(2,6-(CH3)2C6H3)NC(C5H4N))]
• 英文别名: [(N(C6H3-4-Me-2-P(iPr)2)2)Sc(NHDipp)(η2-(DMeP)NC(C5H4N))]；[(N(C6H3(CH3)P(iPr)2)2)Sc(NH(DIPP))(η2-C(py)N(DMeP))]；[(N(C6H3-4-CH3-2-P(iPr)2)2)Sc(NH(2,6-iPr2C6H3))(η2-C(py)N(2,6-dimethylphenyl))]
• CAS: 1292296-39-9
• 化学式: C₅₂H₇₁N₄P₂Sc
• 分子量: 859.066
• InChiKey: AVJWEXOFZIQWGC-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  [(N(C6H3-4-Me-2-P(CHMe2)2)2)Sc(NH(2,6-iPr2C6H3))(η2-(2,6-(CH3)2C6H3)NC(C5H4N))] 以 not given 为溶剂， 生成 [(N(C6H3-4-Me-2-P(iPr)2)2)Sc(NHDipp)((DIPP)NC(C5H4N))]
  参考文献：
  名称：

  Atom-Economical Route to Substituted Pyridines via a Scandium Imide

  摘要：

  Taking advantage of a tautomerization process between (PNP)Sc=N(DIPP)(NC5H5) (PNP = N[2-P(CHMe2)(2)-4-methylphenyl](2)(-), DIPP = 2,6-iPr(2)C(6)H(3)) and (PNP)Sc(NH-(DIPP))(eta(2)-NC5H4) (1), we demonstrate in this work that pyridine can be both activated and functionalized with isonitriles (in one case catalytically) to ultimately afford mono- and bis-imino-substituted pyridines. Several intermediates in the cycle have been isolated and characterized.

  DOI：

  10.1021/om2001537
• 作为产物：
  描述：

  (bis(2-diisopropylphosphino-4-tolyl)amide)Sc(NH[2,6-diisopropylphenyl])(η2-NC5H4) 、 2,6-二甲基苯基异腈 以 not given 为溶剂， 生成 [(N(C6H3-4-Me-2-P(CHMe2)2)2)Sc(NH(2,6-iPr2C6H3))(η2-(2,6-(CH3)2C6H3)NC(C5H4N))]
  参考文献：
  名称：

  Atom-Economical Route to Substituted Pyridines via a Scandium Imide

  摘要：

  Taking advantage of a tautomerization process between (PNP)Sc=N(DIPP)(NC5H5) (PNP = N[2-P(CHMe2)(2)-4-methylphenyl](2)(-), DIPP = 2,6-iPr(2)C(6)H(3)) and (PNP)Sc(NH-(DIPP))(eta(2)-NC5H4) (1), we demonstrate in this work that pyridine can be both activated and functionalized with isonitriles (in one case catalytically) to ultimately afford mono- and bis-imino-substituted pyridines. Several intermediates in the cycle have been isolated and characterized.

  DOI：

  10.1021/om2001537

文献信息

• Isocyanide insertion and cyclization reactions to form indolines using pincer-type complexes of scandium
  作者：Benjamin F. Wicker、Maren Pink、Daniel J. Mindiola

  DOI：10.1039/c1dt10287g

  日期：——

  The addition of 2,6-dimethylphenyl isocyanide (CN[DMeP], two equivalents) to previously reported (PNP)Sc(III) pyridyl complexes resulted in the formation of novel indoline complexes of scandium. By varying the nature of the pyridyl moiety one can intercept an intermediate prior to methyl migration. In addition to structural studies of two indolene complexes, we also propose a mechanism for the insertion and indolene ring closure.

  将 2,6-二甲基苯基异氰酸酯（CN[DMeP]，两个等价物）添加到之前报道的 (PNP)Sc(III) 吡啶络合物中，可形成新型的钪吲哚啉络合物。通过改变吡啶基的性质，可以在甲基迁移之前截取一个中间体。除了对两种吲哚啉配合物进行结构研究外，我们还提出了插入和吲哚啉环闭合的机理。