2-(diisopropylaminomethyl)-1H-benzimidazole | 701247-29-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(diisopropylaminomethyl)-1H-benzimidazole
• 英文别名: (1H-benzimidazol-2-ylmethyl)-diisopropyl-amine；(Bim)CH2N((i)Pr)2；(1H-Benzimidazol-2-ylmethyl)-diisopropyl-amin；N-(1H-benzimidazol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
• CAS: 701247-29-2
• 化学式: C₁₄H₂₁N₃
• 分子量: 231.341
• InChiKey: GQIKGPQNTHPGIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrakis(dimethylamido)titanium(IV) 、 2-(diisopropylaminomethyl)-1H-benzimidazole 以 甲苯 为溶剂， 以83%的产率得到[(Bim)CH2N(i)Pr2]Ti(NMe2)3
  参考文献：
  名称：

  Titanium complexes bearing bidentate benzimidazole-containing ligands and their behavior in ethylene polymerization

  摘要：

  A series of potentially bidentate benzimidazolyl ligands of the type (Bim)CH2D (where Bim = benzimidazolyl and D = NMe2 L1, NEt2 L2, NPr2i L3, OMe L4 and SMe L5) has been reacted with Ti(NMe2) 4 to give five- and six-coordinate Ti(IV) complexes of the type [(Bim)CH2D] Ti(NMe2)(3) and [(Bim)CH2D](2)Ti(NMe2)(2), respectively. The X-ray structures of [(Bim)CH2OMe] Ti(NMe2)(3), [(Bim)CH2NMe2](2)Ti(NMe2)(2) and [(Bim)-CH2OMe)](2) Ti(NMe2)(2) are reported along with an evaluation of their behavior in ethylene polymerization. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.057
• 作为产物：
  描述：

  2-氯甲基苯并咪唑 、 二异丙胺 以 乙醚 、 乙醇 为溶剂， 反应 3.0h， 以72%的产率得到2-(diisopropylaminomethyl)-1H-benzimidazole
  参考文献：
  名称：

  Titanium complexes bearing bidentate benzimidazole-containing ligands and their behavior in ethylene polymerization

  摘要：

  A series of potentially bidentate benzimidazolyl ligands of the type (Bim)CH2D (where Bim = benzimidazolyl and D = NMe2 L1, NEt2 L2, NPr2i L3, OMe L4 and SMe L5) has been reacted with Ti(NMe2) 4 to give five- and six-coordinate Ti(IV) complexes of the type [(Bim)CH2D] Ti(NMe2)(3) and [(Bim)CH2D](2)Ti(NMe2)(2), respectively. The X-ray structures of [(Bim)CH2OMe] Ti(NMe2)(3), [(Bim)CH2NMe2](2)Ti(NMe2)(2) and [(Bim)-CH2OMe)](2) Ti(NMe2)(2) are reported along with an evaluation of their behavior in ethylene polymerization. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.09.057

文献信息

• Titanium complexes bearing bidentate benzimidazole-containing ligands and their behavior in ethylene polymerization
  作者：Damien Zaher、Atanas K. Tomov、Vernon C. Gibson、Andrew J.P. White

  DOI：10.1016/j.jorganchem.2008.09.057

  日期：2008.12

  A series of potentially bidentate benzimidazolyl ligands of the type (Bim)CH2D (where Bim = benzimidazolyl and D = NMe2 L1, NEt2 L2, NPr2i L3, OMe L4 and SMe L5) has been reacted with Ti(NMe2) 4 to give five- and six-coordinate Ti(IV) complexes of the type [(Bim)CH2D] Ti(NMe2)(3) and [(Bim)CH2D](2)Ti(NMe2)(2), respectively. The X-ray structures of [(Bim)CH2OMe] Ti(NMe2)(3), [(Bim)CH2NMe2](2)Ti(NMe2)(2) and [(Bim)-CH2OMe)](2) Ti(NMe2)(2) are reported along with an evaluation of their behavior in ethylene polymerization. (C) 2008 Elsevier B. V. All rights reserved.