| 927385-25-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• CAS: 927385-25-9
• 化学式: Br*C₁₈H₂₃N₂
• 分子量: 347.298
• InChiKey: IOSBHUHOWZLQEF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.95
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  、 氯化镍二甲氧基乙烷 在 n-C₄H₉Li 作用下， 以 四氢呋喃 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of indenyl-functionalized N-heterocyclic carbene complex of Ni(II)

  摘要：

  A new type of Ind-NHC ligand precursor (Ind = indenyl), [C9H7-(CH2)(3)-(CH {(NCHCHNPr)-Pr-i})]Br(HL center dot HBr, 1), was designed and prepared. The reaction of in situ generated anionic indenyl-functionalized NHC ligand LLi with (DME)NiCl2 affords a novel mono-ligand Ni(II) bromide, [C9H6-(CH2)(3)-(C{(NCHCHNPr)-Pr-i})]NiBr (2), which was characterized by elemental analysis, NMR and X-ray crystal determination. Complex 2 in combination with NaBPh4 can catalyze the polymerization of styrene at 80 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.044
• 作为产物：
  描述：

  3-bromopropylindene 、 1-异丙基咪唑 以 乙醚 为溶剂， 反应 24.0h， 以90%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of indenyl-functionalized N-heterocyclic carbene complex of Ni(II)

  摘要：

  A new type of Ind-NHC ligand precursor (Ind = indenyl), [C9H7-(CH2)(3)-(CH {(NCHCHNPr)-Pr-i})]Br(HL center dot HBr, 1), was designed and prepared. The reaction of in situ generated anionic indenyl-functionalized NHC ligand LLi with (DME)NiCl2 affords a novel mono-ligand Ni(II) bromide, [C9H6-(CH2)(3)-(C{(NCHCHNPr)-Pr-i})]NiBr (2), which was characterized by elemental analysis, NMR and X-ray crystal determination. Complex 2 in combination with NaBPh4 can catalyze the polymerization of styrene at 80 degrees C. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.09.044