1-[2-[[3,5-Bis[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole | 1236045-87-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[2-[[3,5-Bis[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
• CAS: 1236045-87-6
• 化学式: C₃₃H₃₆N₁₂O₃
• 分子量: 648.727
• InChiKey: NEEXIISWTYHMRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  48
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-[2-[[3,5-Bis[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole 、 silver trifluoromethanesulfonate 以 四氢呋喃 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Synthesis of a tritopic, third-generation bis(1-pyrazolyl)methane ligand and its silver(I) complex: Unexpected structure with high coordination numbers

  摘要：

  The reaction of the new tritopic ligand C6H3[CH2OCH2CH(Pz)(2)](3) (L-tri,L- pz = pyrazolyl ring), prepared to determine the types of complex architectures its metal complexes will form, with Ag(O3SCF3) yields ([AgItri](O3SCF3))(n). The solid-state structure of this complex is a two-dimensional sheet in which each of the three bis(pyrazolyl)methane units coordinate three different symmetry equivalent Ag(I) cations, with each Ag(I) bonding to three different ligands. Because of a significant disorder in one "arm" of the ligand, approximately half of the Ag(I) cations are six-coordinate and the other half are five-coordinate. In the six-coordinate case, the Ag(I) is in a trigonal prismatic geometry and in the five-coordinate case the disordered bis(pyrazolyl)methane unit is in an unusual kappa(1)-coordination mode. These structural types are very different from those observed with analogous multitopic poly(pyrazolyl)methane ligands, where cages and mononuclear metallacycles are observed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.02.006