[η5:σ-Me2C(C9H6)(C2B10H10)]Zr[η2-SC(NMe2)N-n-Bu]2 | 624747-74-6

• 英文名称: [η5:σ-Me2C(C9H6)(C2B10H10)]Zr[η2-SC(NMe2)N-n-Bu]2
• CAS: 624747-74-6
• 化学式: C₂₈H₅₂B₁₀N₄S₂Zr
• 分子量: 708.214
• InChiKey: GOYYRZHGVCOMOV-UHFFFAOYSA-L

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

• 作为产物：
  描述：

  [η5:σ-Me2C(C9H6)(C2B10H10)]Zr(NMe2)[η2-SC(NMe2)N-n-Bu]2 、 丁基异硫氰酸酯 以 四氢呋喃 为溶剂， 以76%的产率得到[η5:σ-Me2C(C9H6)(C2B10H10)]Zr[η2-SC(NMe2)N-n-Bu]2
  参考文献：
  名称：

  Multiple Insertion of Unsaturated Molecules into the Zr−N Bonds of [η⁵:σ-Me₂A(C₉H₆)(C₂B₁₀H₁₀)]Zr(NMe₂)₂ (A = C, Si)

  摘要：

  The compounds [eta(5):sigma-Me(2)A(C9H6)(C2B10H10)]Zr(NMe2)(2) (A = C, Si) reacted with CS2, PhCN, CH2=CHCN, (BuNCS)-Bu-n, and PhNCO to give the mono-, di-, and triinsertion products, depending upon the substrates. These unsaturated substances inserted exclusively into the Zr-N bonds, and the Zr-C(cage) bond remains intact in all reactions. It is believed that the preference of Zr-N over Zr-C(cage) insertion is governed by steric factors. The metal amide compounds also initiated the polymerization of CH2=CHCN to produce poly(acrylonitrile) and catalyzed the trimerization of PhNCO. On the other hand, they reacted with methyl methacrylate to afford [{eta(5):sigma-Me(2)A(C9H6)(C2B10H10)}Zr(OCH3)(mu-OCH3)](2) and CH2=C(Me)CONMe2. All insertion products were fully characterized by various spectroscopic data, elemental analyses, and X-ray diffraction studies.

  DOI：

  10.1021/om0304255