N,N'-di(propan-2-yl)benzotriazole-1-carboximidamide | 916068-33-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N,N'-di(propan-2-yl)benzotriazole-1-carboximidamide
• CAS: 916068-33-2
• 化学式: C₁₃H₁₉N₅
• 分子量: 245.327
• InChiKey: ZQAHEVAVSLBWPG-UHFFFAOYSA-N

物化性质

• 沸点：
  350.2±25.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  T406石油添加剂 、 N,N'-二异丙基碳二亚胺 在 [ς:η¹:η⁵-(OCH2)(Me2CH2)C2B9H9]Ti(NMe2) 作用下， 以 甲苯 为溶剂， 以71%的产率得到N,N'-di(propan-2-yl)benzotriazole-1-carboximidamide
  参考文献：
  名称：

  Titanacarborane mediated C–N bond forming/breaking reactions

  摘要：

  Constrained-geometry titanacarboranes [sigma: eta(1):eta(5)-(OCH2)(R2NCH2)C2B9H9]Ti(NR2) (R = Me, Et) are synthesized via an unexpected reaction of [Me3NH][mu-7,8-CH2OCH2-7,8-C2B9H10] with Ti(NR2)(4) (R = Me, Et), involving a C-O bond cleavage and C-N bond formation. These complexes can be readily converted to new amide species or alkoxide by reacting with amines or esters, respectively. Insertion of a series of unsaturated molecules into the Ti-N bond of the aforementioned complexes results in the formation of various half-sandwich titanacarboranes. [sigma: eta(1): eta(5)-(OCH2)(Me2NCH2)C2B9H9]Ti(NMe2) is also able to efficiently catalyze the hydroamination of carbodiimides and the transamination of guanidines. These results are summarized in this brief account. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.11.010