1,4-bis((3,5-diphenyl-1H-pyrazol-4-yl)methyl)benzene | 1242612-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-bis((3,5-diphenyl-1H-pyrazol-4-yl)methyl)benzene
• 英文别名: 4-[[4-[(3,5-diphenyl-1H-pyrazol-4-yl)methyl]phenyl]methyl]-3,5-diphenyl-1H-pyrazole
• CAS: 1242612-79-8
• 化学式: C₃₈H₃₀N₄
• 分子量: 542.683
• InChiKey: SAFKZIAHFYVTAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 1,4-bis((3,5-diphenyl-1H-pyrazol-4-yl)methyl)benzene 在 三乙胺 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以45%的产率得到
  参考文献：
  名称：

  具有 Cu3pz3 或 Cu4pz4 基序的双（或三）吡唑基配体的两种铜（I）配合物

  摘要：

  摘要 半刚性双吡唑基和三吡唑基配体，即 1,4-双((3,5-二苯基-1H-吡唑-4-基)-甲基)苯 (H2L1) 和 1,3,5-三((3,5 -二苯基-1H-吡唑-4-基)甲基)苯 (H3L2) 及其 Cu(I) 配合物 (Cu2L1)n (1)、Cu4(HL2)2 (2) 已被制备和结构表征。单晶 X 射线分析表明 1 表现出以环状三核 Cu3pz3 亚基为特征的二维结构。配合物 2 是一种四核化合物，其中三吡唑基配体部分去质子化并充当连接四个 Cu(I) 原子的 μ4 桥。

  DOI：

  10.1515/znb-2014-0173
• 作为产物：
  描述：

  2,2'-(1,4-phenylenebis(methylene))bis(1,3-diphenylpropane-1,3-dione) 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以95%的产率得到1,4-bis((3,5-diphenyl-1H-pyrazol-4-yl)methyl)benzene
  参考文献：
  名称：

  Self-Assembly and Host−Guest Interaction of Metallomacrocycles Using Fluorescent Dipyrazole Linker with Dimetallic Clips

  摘要：

  By employing diimine ligands coordinated dimetallic clips ([(bpy)(2)Pd-2(NO3)(2)](NO3)(2) or [(phen)(2)Pd-2(NO3)(2)KNO3)(2), where bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) as the corner and anthracene-, naphthalene-, and benzene-based dipyrazolate dianions as the linker, a series of positively charged metallomacrocycles ([M4L2](4+) or [M8L4](8+)) have been synthesized through a directed self-assembly method in aqueous solution. Every macrocycle has a cavity to bind solvent molecules or anions. The structures were characterized by elemental analysis, H-1 and C-13 NMR, electrospray ionization mass spectrometry, and single crystal X-ray diffraction analysis for compound 1.4PF6(-) (1 = {[(bpy)Pd](4)L-2(1)}(4+)), 3 center dot 4PF(6)(-)center dot 8CH(3)CN center dot H2O (3 = {[(bpy)Pd](4)L-2(2)}(4+)), and 7.4PF(6)(-)center dot 6H(2)O (7 = {[(bpy)Pd](4)L-2(5)](4+)). The 1:1 host guest complexation for anthracene-based dipyrazolate-bridged macrocycles with aromatic guests was investigated via UV-vis and fluorescent titration.

  DOI：

  10.1021/ic100724r

文献信息

• Self-Assembly and Host−Guest Interaction of Metallomacrocycles Using Fluorescent Dipyrazole Linker with Dimetallic Clips
  作者：Guo-Hong Ning、Liao-Yuan Yao、Li-Xia Liu、Ting-Zheng Xie、Yi-Zhi Li、Yu Qin、Yuan-Jiang Pan、Shu-Yan Yu

  DOI：10.1021/ic100724r

  日期：2010.9.6

  By employing diimine ligands coordinated dimetallic clips ([(bpy)(2)Pd-2(NO3)(2)](NO3)(2) or [(phen)(2)Pd-2(NO3)(2)KNO3)(2), where bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline) as the corner and anthracene-, naphthalene-, and benzene-based dipyrazolate dianions as the linker, a series of positively charged metallomacrocycles ([M4L2](4+) or [M8L4](8+)) have been synthesized through a directed self-assembly method in aqueous solution. Every macrocycle has a cavity to bind solvent molecules or anions. The structures were characterized by elemental analysis, H-1 and C-13 NMR, electrospray ionization mass spectrometry, and single crystal X-ray diffraction analysis for compound 1.4PF6(-) (1 = [(bpy)Pd](4)L-2(1)}(4+)), 3 center dot 4PF(6)(-)center dot 8CH(3)CN center dot H2O (3 = [(bpy)Pd](4)L-2(2)}(4+)), and 7.4PF(6)(-)center dot 6H(2)O (7 = [(bpy)Pd](4)L-2(5)](4+)). The 1:1 host guest complexation for anthracene-based dipyrazolate-bridged macrocycles with aromatic guests was investigated via UV-vis and fluorescent titration.
• Two copper(I) complexes of bi- (or tri-)pyrazolyl ligands featuring Cu₃pz₃ or Cu₄pz₄ motifs
  作者：Jin-Xue Zhang、Ting-Ting Yan、Jun-Feng Kou、Wen-Hua Zhang、Guang Yang

  DOI：10.1515/znb-2014-0173

  日期：2015.1.1

  ne (H3L2), and their Cu(I) complexes (Cu2L1)n (1), Cu4(HL2)2 (2) have been prepared and structurally characterized. Single-crystal X-ray analysis demonstrates that 1 exhibits a 2D structure featuring cyclic trinuclear Cu3pz3 subunits. Complex 2 is a tetranuclear compound in which the tripyrazolyl ligand is partially deprotonated and acts as a μ4 bridge connecting four Cu(I) atoms.

  摘要 半刚性双吡唑基和三吡唑基配体，即 1,4-双((3,5-二苯基-1H-吡唑-4-基)-甲基)苯 (H2L1) 和 1,3,5-三((3,5 -二苯基-1H-吡唑-4-基)甲基)苯 (H3L2) 及其 Cu(I) 配合物 (Cu2L1)n (1)、Cu4(HL2)2 (2) 已被制备和结构表征。单晶 X 射线分析表明 1 表现出以环状三核 Cu3pz3 亚基为特征的二维结构。配合物 2 是一种四核化合物，其中三吡唑基配体部分去质子化并充当连接四个 Cu(I) 原子的 μ4 桥。