1,2-bis(1-methyl-1H-tetrazol-5-yl)ethane | 500274-18-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,2-bis(1-methyl-1H-tetrazol-5-yl)ethane
• 英文别名: 1,2-bis(1-methyltetrazol-5-yl)ethane；5,5'-ethane-1,2-diylbis(1-methyl-1H-tetrazole)；1-methyl-5-[2-(1-methyltetrazol-5-yl)ethyl]tetrazole
• CAS: 500274-18-0
• 化学式: C₆H₁₀N₈
• 分子量: 194.199
• InChiKey: ONGLBDSLBBBOBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 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 、 1,2-bis(1-methyl-1H-tetrazol-5-yl)ethane 在 高氯酸 作用下， 反应 96.0h， 以62%的产率得到[Cu(bmte)₂(H₂O)₂](ClO₄)₂
  参考文献：
  名称：

  Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H-tetrazol-5-yl)ethane

  摘要：

  Two recently introduced concepts in the design of new energetic materials, namely complexation and cocrystallization, have been applied in the synthesis and characterization of the energetic copper(II) compound "[Cu(dt-5-e)(2)(H2O)](ClO4)(2)," which consists of two different complex cations and can be described as a model energetic ionic cocrystal. The presence of both the N-rich 1,2-di(1H-tetrazol-5-yl)ethane ligand and oxidizing perchlorate counterion results in a new type of energetic material. The ionic complex cocrystal consists of a mononuclear and a trinuclear complex unit. It can be obtained by precipitation from perchloric acid or by dehydration of the related mononuclear coordination compound [Cu(dt-5-e)(2)(H2O)(2)](ClO4)(2).2H(2)O at 70 degrees C in the solid state. The transformation starting at 60 degrees C was monitored by X-ray powder diffraction and thermal analysis. The energetic ionic cocrystal was shown to be a new primary explosive suitable for laser ignition. The different coordination spheres within the ionic cocrystal (octahedral and square pyramidal) were shown by UV/vis/NIR spectroscopy to result in excellent light absorption.

  DOI：

  10.1021/ic5020175
• 作为产物：
  描述：

  硫酸二甲酯 、 1,2-bis(2-tert-butyl-1H-tetrazol-5-yl)ethane 以 乙腈 为溶剂， 反应 96.0h， 以62%的产率得到1,2-bis(1-methyl-1H-tetrazol-5-yl)ethane
  参考文献：
  名称：

  catena-Poly[[bis[μ-1,2-bis(1-methyltetrazol-5-yl)ethane-κ²N⁴:N^4′]bis[chlorocopper(II)]]-di-μ-chloro]

  摘要：

  In the title compound, [Cu2Cl4(C6H10N8)(2)](n), the ligand has C-2 symmetry, and the Cu and Cl atoms lie on a mirror plane. The coordination polyhedron of the Cu atom is a distorted square pyramid, with the basal positions occupied by two N atoms from two different ligands [Cu-N=2.0407 (18) Angstrom] and by the two Cl atoms [Cu-Cl=2.2705 (8) and 2.2499 (9) Angstrom], and the apical position occupied by a Cl atom [Cu-Cl=2.8154 (9) Angstrom] that belongs to the basal plane of a neighbouring Cu atom. The [CuCl2(C6H10N8)](2) units form infinite chains extending along the a axis via the Cl atoms. Intermolecular C-H...Cl contacts [C...Cl=3.484 (2) Angstrom] are also present in the chains. The chains are linked together by intermolecular C-H...N interactions [C...N=3.314 (3) Angstrom].

  DOI：

  10.1107/s0108270103008977

文献信息

• Lead-free initiating agents or initiating agent mixtures
  申请人：DYNITEC GMBH

  公开号：US11535575B2

  公开（公告）日：2022-12-27

  Subject matter of the invention are lead-free initiating agents or initiating agent mixtures and initiating and igniting compositions which contain the lead-free initiating agents or initiating agent mixtures.

  本发明的主题是无铅引发剂或引发剂混合物，以及含有无铅引发剂或引发剂混合物的引发和点火组合物。
• Surface-treating agent for metal
  申请人：Aiba Akihiro

  公开号：US20070157845A1

  公开（公告）日：2007-07-12

  A problem for the present invention is to provide a surface-treating agent which improves heat resistance, adhesiveness to resin and solder wettability. This problem is solved by a surface-treating agent for metal comprising a tetrazole derivative represented by the following general formula and/or a salt thereof. (wherein R 1 and R 2 each independently represent a hydrogen atom, a halogen atom, or an alkyl group or an aryl group, etc., which each have a carbon number of not more than 10, and a group having a halogen atom, a hydroxyl group, a carboxyl group, an amino group or a mercapto group added thereto, or represent an amino group, a mercapto group, a hydroxyl group or a carboxyl group; and R 3 represents a bond or an alkylene group, etc., which each have a carbon number of not more than 10, and a group having a halogen atom, a hydroxyl group, a carboxyl group, an amino group, a mercapto group, an azo group (—N═N—), a sulfide group (—S—), or a disulfide group (—S—S—) added thereto, or represents an azo group, a sulfide group, or disulfide group). The surface-treating agent may contain a metal or metal compound.
• LEAD-FREE INITIATING AGENTS OR INITIATING AGENT MIXTURES
  申请人：DYNITEC GMBH

  公开号：US20190256438A1

  公开（公告）日：2019-08-22

  Subject matter of the invention are lead-free initiating agents or initiating agent mixtures and initiating and igniting compositions which contain the lead-free initiating agents or initiating agent mixtures
• US7393395B2
  申请人：——

  公开号：US7393395B2

  公开（公告）日：2008-07-01
• Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1<i>H</i>-tetrazol-5-yl)ethane
  作者：Jürgen Evers、Ivan Gospodinov、Manuel Joas、Thomas M. Klapötke、Jörg Stierstorfer

  DOI：10.1021/ic5020175

  日期：2014.11.3

  Two recently introduced concepts in the design of new energetic materials, namely complexation and cocrystallization, have been applied in the synthesis and characterization of the energetic copper(II) compound "[Cu(dt-5-e)(2)(H2O)](ClO4)(2)," which consists of two different complex cations and can be described as a model energetic ionic cocrystal. The presence of both the N-rich 1,2-di(1H-tetrazol-5-yl)ethane ligand and oxidizing perchlorate counterion results in a new type of energetic material. The ionic complex cocrystal consists of a mononuclear and a trinuclear complex unit. It can be obtained by precipitation from perchloric acid or by dehydration of the related mononuclear coordination compound [Cu(dt-5-e)(2)(H2O)(2)](ClO4)(2).2H(2)O at 70 degrees C in the solid state. The transformation starting at 60 degrees C was monitored by X-ray powder diffraction and thermal analysis. The energetic ionic cocrystal was shown to be a new primary explosive suitable for laser ignition. The different coordination spheres within the ionic cocrystal (octahedral and square pyramidal) were shown by UV/vis/NIR spectroscopy to result in excellent light absorption.