2,3-diethyl-5,6-di(1H-tetrazol-5-yl)pyrazine | 119298-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2,3-diethyl-5,6-di(1H-tetrazol-5-yl)pyrazine
• 英文别名: 2,3-diethyl-5,6-bis(2H-tetrazol-5-yl)pyrazine
• CAS: 119298-77-0
• 化学式: C₁₀H₁₂N₁₀
• 分子量: 272.272
• InChiKey: WRFFCHHBDUQHGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1,8-二溴辛烷 、 2,3-diethyl-5,6-di(1H-tetrazol-5-yl)pyrazine 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 以13%的产率得到
  参考文献：
  名称：

  Ried, Walter; Lee, Chiu-Huei; Bats, Jan W., Liebigs Annalen der Chemie, 1989, p. 497 - 500

  摘要：

  DOI：
• 作为产物：
  描述：

  5,6-diethylpyrazine-2,3-dicarbonitrile 在 sodium azide 、 氯化铵 、 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到2,3-diethyl-5,6-di(1H-tetrazol-5-yl)pyrazine
  参考文献：
  名称：

  Ried, Walter; Lee, Chiu-Huei; Bats, Jan W., Liebigs Annalen der Chemie, 1989, p. 497 - 500

  摘要：

  DOI：

文献信息

• Zn^II and Hg^II Complexes with 2,3-Substituted-5,6-di(1<i>H</i>-tetrazol-5-yl)pyrazine Ligands: Roles of Substituting Groups and Synthetic Conditions on the Formation of Complexes
  作者：Ying Tao、Jian-Rong Li、Ze Chang、Xian-He Bu

  DOI：10.1021/cg900934u

  日期：2010.2.3

  In our continuing efforts to explore the effects of substituting groups of bridging ligands on the structure and properties of their complexes, two structurally related bis(tetrazolate) ligands, 2,3-diethyl-5,6-di(1H-tetrazol-5-yl)pyrazine (H2L1) and 2,3-diphenyl-5,6-di(1H-tetrazol-5-yl)pyrazine (H2L2), have been designed, and seven Zn-II and Hg-II complexes with the two ligands, [Zn-2(L-1)(2)(H2O)(4)](H2O)(4) (1), [Zn-2(L-1)(2)](H2O)(0.5)}(infinity) (2), [Zn-6(L-2)(6)(H2O)(12)](3), [Zn(L-2)](infinity) (4), [Hg(L-1)Br](infinity) (5), [Hg-4(L-2)(4)(H2O)(6)](H2O)]}(infinity) (6), and [Hg-3(L)(2)(H2O)(0.5)Br-2](infinity) (7), have been synthesized and characterized. 1 has a dinuclear structure in which Zn-II is four-coordinated to furnish a distorted tetrahedral geometry, and in the crystal structure the dinuclear units are further assembled to form a three-dimensional (3D) framework by hydrogen bonds. 2 possesses a 3D framework with (4,12(2)) topology in which the Zn-II center is four-coordinated by N atoms of the ligand. 3 has a hexanuclear structure comprised of two trinuclear motifs as basic building units each of which has three types of coordination environments around the Zn-II ions, and the hexanuclear units are interlinked by O-H center dot center dot center dot N hydrogen-bonding to generate a two-dimensional (2D) framework. 4 takes a 3D (4,8, 10) topology, in which Zn-II ions act as three-connected nodes and the L-2 ligand takes achelating-bridging mode being similar to that in 1.5 possesses a 2D (4,8,8) layer structure with one kind of Hg-II center four-coordinated by one Br anion, two N atoms from two L-1 ligands, and one weakly coordinated N atom from another L-1 ligand. 6 has two kinds of one-dimensional chain structures with two kinds of Hg-II ions, and one kind of these chains is further assembled into 2D sheets via hydrogen-bonding interaction, 7 has a 2D layer structure with one kind of Hg-II center coordinated by a Br anion, the other one being seven-coordinated by six N atoms from four L-2 ligands and one weakly coordinated O atom from a water molecule. In this work, 1, 3, 5, and 6 were synthesized by the conventional method at room temperature, while 2, 4, 7 were prepared under hydrothermal conditions. These results show that the substituting groups of ligands and the reaction conditions have great influences on the formation of these complexes. In addition, the luminescent properties of complexes 1-7 have been briefly studied.
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