(pentamethylcyclopentadienyl)(N,N'-bis(trimethylsilyl)benzamidinato)Y(μ-C*CCMe3)2Li*(N,N,N',N'-tetramethylethylenediamine) | 174872-27-6

• 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: (pentamethylcyclopentadienyl)(N,N'-bis(trimethylsilyl)benzamidinato)Y(μ-C*CCMe3)2Li*(N,N,N',N'-tetramethylethylenediamine)
• 英文别名: lithium;3,3-dimethylbut-1-yne;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;[(E)-C-phenyl-N-trimethylsilylcarbonimidoyl]-trimethylsilylazanide;N,N,N',N'-tetramethylethane-1,2-diamine;yttrium(3+)
• CAS: 174872-27-6
• 化学式: C₄₁H₇₂LiN₄Si₂Y
• 分子量: 773.067
• InChiKey: HWYDFWGDNRVLNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.78
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  19.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 、 (pentamethylcyclopentadienyl)(N,N'-bis(trimethylsilyl)benzamidinato)Y(μ-Me)2Li*(N,N,N',N'-tetramethylethylenediamine) 以 乙醚 为溶剂， 以71%的产率得到(pentamethylcyclopentadienyl)(N,N'-bis(trimethylsilyl)benzamidinato)Y(μ-C*CCMe3)2Li*(N,N,N',N'-tetramethylethylenediamine)
  参考文献：
  名称：

  Mono(pentamethylcyclopentadienyl)yttrium Compounds Stabilized by N,N‘-Bis(Trimethylsilyl)benzamidinate Ligands

  摘要：

  Reaction of YCl3 . 3.5THF with Cp*K followed by [PhC(NSiMe(3))(2)]Li . OEt(2) in THF gives the surprisingly stable yttrium cyclopentadienyl-benzamidinate chloride {Cp*[PhC(NSiMe(3))(2)]Y(mu-Cl)}(2) (1). Thermally induced redistribution of the various ligands leading to disproportionation of the molecule was not observed. The dimer does not split easily, e.g., it does not react with THF to give Cp*[PhC(NSiMe(3))(2)]YCl . THF. Attempts to produce monomeric derivatives of 1 by substitution of the chloride by alkoxy, amide, or alkyl substituents using salt metathesis methodology were not successful. Reaction of 1 with 2 equiv of MeLi in the presence of TMEDA (TMEDA = N,N,N',N'-tetramethylethylenediamine) afforded the structurally characterized Cp*[PhC(NSiMe(3))(2)]Y(mu-Me)(2)Li . TMEDA (2). Compound 2 is a useful precursor for other yttrium pentamethylcyclopentadienyl-benzamidinate derivatives by controlled protolysis: with HC=CCMe(3) or HOAr it yields Cp*[PhC(NSiMe(3))(2)]Y(mu C=CCMe(3))Li . TMEDA (3) and Cp*[PhC(NSiMe(3))(2)]YOAr (4), respectively.

  DOI：

  10.1021/om9508187