o-C6H4[CH2OCH2CH(pyrazolyl)2]2

• 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: o-C6H4[CH2OCH2CH(pyrazolyl)2]2
• 英文别名: 1-[2-[[2-[2,2-Di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole；1-[2-[[2-[2,2-di(pyrazol-1-yl)ethoxymethyl]phenyl]methoxy]-1-pyrazol-1-ylethyl]pyrazole
• 化学式: C₂₄H₂₆N₈O₂
• 分子量: 458.523
• InChiKey: AMGQDJYSZLQNFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  89.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  六氟磷酸银 、 o-C6H4[CH2OCH2CH(pyrazolyl)2]2 以 四氢呋喃 为溶剂， 以76%的产率得到[AgPF6(o-C6H4[CH2OCH2CH(pyrazolyl)2]2]n
  参考文献：
  名称：

  Structural Comparisons of Silver(I) Complexes of Third-Generation Ligands Built from Tridentate (o-C₆H₄[CH₂OCH₂C(pz)₃]₂) versus Bidentate Poly(1-pyrazolyl)methane Units (o-C₆H₄[CH₂OCH₂CH(pz)₂]₂) (pz = Pyrazolyl Ring)

  摘要：

  The new bitopic, bis(1-pyrazolyl)methane-based ligand o-C6H4[CH2OCH2CH(pz)(2)](2) (L-2, pz = pyrazolyl ring) is prepared from the reaction of (pz)(2)CHCH2OH (obtained from the reduction of (pz)(2)CHCOOH with BH3 center dot S(CH3)(2)) with NaH, followed by the addition, of alpha,alpha'-dibromo-o-xylene. The reaction of L-2 with AgPF6 or AgO3SCF3 yields {o-C6H4[CH2-OCH2CH(pz)(2)](2)(AgPF6)}(n) or {o-C6H4[CH2OCH2CH(pz)(2)](2)(AgO3SCF3)}(n), respectively. Both compounds in the solid state have tetrahedral silver(l) centers arranged in a 1D coordination polymer network. The analogous ligand based on tris (1-pyrazolyl) methane units, o-C6H4[CH2OCH2C(pz)(3)](2) (L-3), reacts with AgO3SCF3 to form a similar coordination polymer, {o-C6H4[CH2OCH2C(pz)(3)](2)(AgO3SCF3)}(n). In this case, each tris(pyrazolyl) methane unit in L-3 adopts the kappa(2)-kappa(0) bonding mode. trystallization of a 3:1 mixture of AgO3SCF3 and L-3 yields {o-C6H4[CH2OCH2C(pz)(3)](2)(AgO3SCF3)(2)}(n), in which the tris(1-pyrazolyl) methane units adopt a kappa(2)-kappa(1) coordination mode.

  DOI：

  10.1021/ic7017743

文献信息

• Structural Comparisons of Silver(I) Complexes of Third-Generation Ligands Built from Tridentate (<i>o</i>-C₆H₄[CH₂OCH₂C(pz)₃]₂) versus Bidentate Poly(1-pyrazolyl)methane Units (<i>o</i>-C₆H₄[CH₂OCH₂CH(pz)₂]₂) (pz = Pyrazolyl Ring)
  作者：Daniel L. Reger、Elizabeth A. Foley、Radu F. Semeniuc、Mark D. Smith

  DOI：10.1021/ic7017743

  日期：2007.12.1

  The new bitopic, bis(1-pyrazolyl)methane-based ligand o-C6H4[CH2OCH2CH(pz)(2)](2) (L-2, pz = pyrazolyl ring) is prepared from the reaction of (pz)(2)CHCH2OH (obtained from the reduction of (pz)(2)CHCOOH with BH3 center dot S(CH3)(2)) with NaH, followed by the addition, of alpha,alpha'-dibromo-o-xylene. The reaction of L-2 with AgPF6 or AgO3SCF3 yields o-C6H4[CH2-OCH2CH(pz)(2)](2)(AgPF6)}(n) or o-C6H4[CH2OCH2CH(pz)(2)](2)(AgO3SCF3)}(n), respectively. Both compounds in the solid state have tetrahedral silver(l) centers arranged in a 1D coordination polymer network. The analogous ligand based on tris (1-pyrazolyl) methane units, o-C6H4[CH2OCH2C(pz)(3)](2) (L-3), reacts with AgO3SCF3 to form a similar coordination polymer, o-C6H4[CH2OCH2C(pz)(3)](2)(AgO3SCF3)}(n). In this case, each tris(pyrazolyl) methane unit in L-3 adopts the kappa(2)-kappa(0) bonding mode. trystallization of a 3:1 mixture of AgO3SCF3 and L-3 yields o-C6H4[CH2OCH2C(pz)(3)](2)(AgO3SCF3)(2)}(n), in which the tris(1-pyrazolyl) methane units adopt a kappa(2)-kappa(1) coordination mode.