1,4-di(tetrazol-2-yl)butane | 676228-59-4

• 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-di(tetrazol-2-yl)butane
• 英文别名: 1,4-di(1,2,3,4-tetrazol-2-yl)butane；2-[4-(Tetrazol-2-yl)butyl]tetrazole
• CAS: 676228-59-4
• 化学式: C₆H₁₀N₈
• 分子量: 194.199
• InChiKey: CWVBZCGXWHSWQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,4-di(tetrazol-2-yl)butane 以 乙醇 、 水 为溶剂， 以44%的产率得到([Cu(1,4-di(1,2,3,4-tetrazol-2-yl)butane)3](ClO4)2)
  参考文献：
  名称：

  1,4-Di(1,2,3,4-tetrazol-2-yl)butane as a precursor of new 2D and 3D coordination polymers of Cu(II)

  摘要：

  A series of new coordination polymers of Cu(II) have been prepared in a reaction between copper(II) perchlorate or tetrafluoroborate salt and a novel ligand 1,4-di(1,2,3,4-tetrazol-2-yl)butane (bbtz). The compounds were characterised by an elemental analysis, TG measurements, IR, EPR and UV-Vis spectroscopy. Crystal structures of bbtz and five complexes of Cu(II) were determined by a single crystal X-ray diffraction measurement performed at 100 K. The composition and architecture of the obtained complexes strongly depend on the reaction conditions especially on the kind of solvent. Investigated complexes are composed of polymeric macrocations and non-coordinated anions. In all cases the bbtz molecules act as the bidentate ligand coordinated to metal(II) ions via N4, N4' nitrogen atoms from tetrazole rings. The complexes {[Cu(bbtz)(2)(MeOH)(2)]X-2}(infinity) (X=ClO4-, BF4-) crystallise from methanol as 2D coordination polymers. In these compounds central metal ions are coplanar linked by molecules of bbtz and a coordination sphere is completed by axially coordinated solvent molecules. The complexes {[Cu(bbtz)(2)(MeOH)(2)]X-2}(infinity) (X=ClO4-, BF4-) were synthesised in EtOH/H2O solvent system and posses a common network topology. In this group of complexes each central atom is linked by ligand molecules to six other in plane arranged central atoms resulting in 2D networks. Reactions between Cu(II) salts and bbtz performed in absolute ethanol resulted in the formation of the next type of product. In {[Cu(bbtz)(3)](ClO4)(2) (.) 2EtOH}(infinity) neighboured copper(II) ions are linked by ligand molecules in the three directions what leads to the formation of 3D net. A crystal of this complex is composed of two mutually interpenetrated 3D networks. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2003.05.002
• 作为产物：
  描述：

  1-(4-bromobutyl)tetrazole 、 2H-tetrazole 在 sodium methylate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 48.0h， 以23%的产率得到1-(tetrazol-1-yl)-4-(tetrazol-2-yl)butane
  参考文献：
  名称：

  的应用ñ - （ω-溴烷基）四唑用于容纳pyridylazole螯合剂或唑类环作为积木铁（II）自旋交叉聚合物材料bitopic配体的制备

  摘要：

  合成了1-（3-溴丙基）四唑，2-（3-溴丙基）四唑，1-（4-溴丁基）四唑和2-（4-溴丁基）四唑，目的是制备含有1-或3-氨基的柔性双位配体通过1,3-丙烯或1,4-丁烯间隔基与吡啶基唑或唑单元连接的2-取代的四唑环。26种新型配体，即α-（吡啶基偶氮基）-ω-（四唑基）烷烃，α-（四唑基）-ω-（1,2,3-三唑基）烷烃和α-（四唑-1-基）-通过将5-（2-吡啶基）四唑，3-（2-吡啶基）-1,2,4-三唑，3-（2-吡啶基）的钠盐烷基化制备ω-（四唑-2-基）烷烃吡唑，1,2,3-三唑和1,2,3,4-四唑与N-（ω-溴烷基）四唑。5-（2-吡啶基）四唑，1,2,3,4-四唑和1,2,3-三唑的烷基化得到N 1-和N2-区域异构体，而在3-（2-吡啶基）-1,2,4-三唑和3-（2-吡啶基）吡唑中仅分离出N 1个异构体。通过1-（5-（2-吡啶基）四唑-2-基）-4-（四唑-1-

  DOI：

  10.1016/j.tet.2008.07.065

文献信息

• USE OF A COPPER(II) AZIDE COMPLEX AS A PRIMARY EXPLOSIVE
  申请人：EMTO GmbH

  公开号：EP3508488A1

  公开（公告）日：2019-07-10

  The invention concerns the use of a copper(II) azide complex as a primary explosive, wherein the copper(II) azide complex is of general formula Cua(N3)2a(L)x, wherein L is a ligand, a = 1 to 6 and x = 1 to 6.

  本发明涉及使用叠氮化铜(II)络合物作为初级炸药，其中叠氮化铜(II)络合物的通式为 Cua(N3)2a(L)x，其中 L 为配体，a = 1 至 6，x = 1 至 6。
• Application of N-(ω-bromoalkyl)tetrazoles for the preparation of bitopic ligands containing pyridylazole chelators or azole rings as building blocks for iron(II) spin crossover polymeric materials
  作者：Agata Białońska、Robert Bronisz

  DOI：10.1016/j.tet.2008.07.065

  日期：2008.10

  alkylation were confirmed by X-ray diffraction studies of 1-(5-(2-pyridyl)tetrazol-2-yl)-4-(tetrazol-1-yl)butane, 1-(3-(2-pyridyl)-1,2,4-triazol-1-yl)-4-(tetrazol-2-yl)butane, 1-(3-(2-pyridyl)pyrazol-1-yl)-4-(tetrazol-1-yl)butane, and 1-(tetrazol-1-yl)-4-(1,2,3-triazol-1-yl)butane. Preliminary investigations of magnetic properties of iron(II) complex with 1-(3-(2-pyridyl)-1,2,4-triazol-1-yl)-4-(tetrazol-1-yl)butane

  合成了1-（3-溴丙基）四唑，2-（3-溴丙基）四唑，1-（4-溴丁基）四唑和2-（4-溴丁基）四唑，目的是制备含有1-或3-氨基的柔性双位配体通过1,3-丙烯或1,4-丁烯间隔基与吡啶基唑或唑单元连接的2-取代的四唑环。26种新型配体，即α-（吡啶基偶氮基）-ω-（四唑基）烷烃，α-（四唑基）-ω-（1,2,3-三唑基）烷烃和α-（四唑-1-基）-通过将5-（2-吡啶基）四唑，3-（2-吡啶基）-1,2,4-三唑，3-（2-吡啶基）的钠盐烷基化制备ω-（四唑-2-基）烷烃吡唑，1,2,3-三唑和1,2,3,4-四唑与N-（ω-溴烷基）四唑。5-（2-吡啶基）四唑，1,2,3,4-四唑和1,2,3-三唑的烷基化得到N 1-和N2-区域异构体，而在3-（2-吡啶基）-1,2,4-三唑和3-（2-吡啶基）吡唑中仅分离出N 1个异构体。通过1-（5-（2-吡啶基）四唑-2-基）-4-（四唑-1-
• 1,4-Di(1,2,3,4-tetrazol-2-yl)butane as a precursor of new 2D and 3D coordination polymers of Cu(II)
  作者：Robert Bronisz

  DOI：10.1016/j.ica.2003.05.002

  日期：2004.1

  A series of new coordination polymers of Cu(II) have been prepared in a reaction between copper(II) perchlorate or tetrafluoroborate salt and a novel ligand 1,4-di(1,2,3,4-tetrazol-2-yl)butane (bbtz). The compounds were characterised by an elemental analysis, TG measurements, IR, EPR and UV-Vis spectroscopy. Crystal structures of bbtz and five complexes of Cu(II) were determined by a single crystal X-ray diffraction measurement performed at 100 K. The composition and architecture of the obtained complexes strongly depend on the reaction conditions especially on the kind of solvent. Investigated complexes are composed of polymeric macrocations and non-coordinated anions. In all cases the bbtz molecules act as the bidentate ligand coordinated to metal(II) ions via N4, N4' nitrogen atoms from tetrazole rings. The complexes [Cu(bbtz)(2)(MeOH)(2)]X-2}(infinity) (X=ClO4-, BF4-) crystallise from methanol as 2D coordination polymers. In these compounds central metal ions are coplanar linked by molecules of bbtz and a coordination sphere is completed by axially coordinated solvent molecules. The complexes [Cu(bbtz)(2)(MeOH)(2)]X-2}(infinity) (X=ClO4-, BF4-) were synthesised in EtOH/H2O solvent system and posses a common network topology. In this group of complexes each central atom is linked by ligand molecules to six other in plane arranged central atoms resulting in 2D networks. Reactions between Cu(II) salts and bbtz performed in absolute ethanol resulted in the formation of the next type of product. In [Cu(bbtz)(3)](ClO4)(2) (.) 2EtOH}(infinity) neighboured copper(II) ions are linked by ligand molecules in the three directions what leads to the formation of 3D net. A crystal of this complex is composed of two mutually interpenetrated 3D networks. (C) 2003 Elsevier B.V. All rights reserved.