2,7-bis((3,5-dimethyl-1H-pyrazol-4-yl)methyl)naphthalene | 1242612-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7-bis((3,5-dimethyl-1H-pyrazol-4-yl)methyl)naphthalene
• 英文别名: 4-[[7-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]naphthalen-2-yl]methyl]-3,5-dimethyl-1H-pyrazole
• CAS: 1242612-71-0
• 化学式: C₂₂H₂₄N₄
• 分子量: 344.459
• InChiKey: YVRXCNHKNKAFMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 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：

  [(1,10-phenanthroline)₂Pd₂(NO₃)₂](NO3)₂ 、 2,7-bis((3,5-dimethyl-1H-pyrazol-4-yl)methyl)naphthalene 以 水 、 丙酮 为溶剂， 以95%的产率得到([(phen)Pd]4(2,7-bis((3,5-dimethyl-1H-pyrazol-4-yl)methyl)naphthalene(-2H))2)(NO3)4
  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
• 作为产物：
  描述：

  3,3'-{2,7-naphthalenediylbis(methylene)}bis(2,4-pentanedione) 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2,7-bis((3,5-dimethyl-1H-pyrazol-4-yl)methyl)naphthalene
  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.