[1-(σ-S)-2-(η5-C5H4CH(Ph))-1,2-C2B10H10)]Ti(NMe2)2 | 628692-27-3

• 英文名称: [1-(σ-S)-2-(η5-C5H4CH(Ph))-1,2-C2B10H10)]Ti(NMe2)2
• CAS: 628692-27-3
• 化学式: C₁₈H₃₂B₁₀N₂STi
• 分子量: 464.521
• InChiKey: VQERTFMYFGDAQL-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：

  三甲基氯硅烷 、 [1-(σ-S)-2-(η5-C5H4CH(Ph))-1,2-C2B10H10)]Ti(NMe2)2 以 甲苯 为溶剂， 以71%的产率得到[1-(σ-S)-2-(η5-C5H4CH(Ph))-1,2-C2B10H10)]TiCl(NMe2)
  参考文献：
  名称：

  A New Class of Constrained-Geometry Metallocenes:  Synthesis and Crystal Structure of a Carboranyl−Thiol-Appended Half-Sandwich Titanocene and Its Conversion to Halotitanocene

  摘要：

  A novel carboranyl-thiol-appended cyclopentadiene ligand, 1-SH-2-[HCpCH(Ph)]-closo-1,2-C2B10H10 (2), was prepared and then reacted with Ti(NMe2)(4) to form the corresponding titanium complex [1-(sigma-S)-2-(eta(5)-C5H4CH(ph))-1,2-C2B10H10)]Ti(NMe2)(2) (3), which undergoes exclusively a monohalogenation reaction on the metal center, in the presence of Me3SiCl or Me3NHCl, leading to the formation of [1-(sigma-S)-2-(eta(5)- C5H4CH(Ph))-1,2-C2B10H10)]TiCl(NMe2) (4) in 71% yield.

  DOI：

  10.1021/om0340802
• 作为产物：
  描述：

  tetrakis(dimethylamido)titanium(IV) 、 1-thiol-2-[cyclopentadienylmethyl(phenyl)]-1,2-dicarba-closo-dodecaborane(12) 以 甲苯 为溶剂， 以83%的产率得到[1-(σ-S)-2-(η5-C5H4CH(Ph))-1,2-C2B10H10)]Ti(NMe2)2
  参考文献：
  名称：

  A New Class of Constrained-Geometry Metallocenes:  Synthesis and Crystal Structure of a Carboranyl−Thiol-Appended Half-Sandwich Titanocene and Its Conversion to Halotitanocene

  摘要：

  A novel carboranyl-thiol-appended cyclopentadiene ligand, 1-SH-2-[HCpCH(Ph)]-closo-1,2-C2B10H10 (2), was prepared and then reacted with Ti(NMe2)(4) to form the corresponding titanium complex [1-(sigma-S)-2-(eta(5)-C5H4CH(ph))-1,2-C2B10H10)]Ti(NMe2)(2) (3), which undergoes exclusively a monohalogenation reaction on the metal center, in the presence of Me3SiCl or Me3NHCl, leading to the formation of [1-(sigma-S)-2-(eta(5)- C5H4CH(Ph))-1,2-C2B10H10)]TiCl(NMe2) (4) in 71% yield.

  DOI：

  10.1021/om0340802