1-benzotriazol-1-yl-2-benzotriazol-2-ylethane | 116477-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-benzotriazol-1-yl-2-benzotriazol-2-ylethane
• 英文别名: 1,2-bis(benzenetriazol-1,2-yl)ethane；1-benzotriazol-1-yl-2-benzotriazol-2-yl-ethane；1-Benzotriazol-1-yl-2-benzotriazol-2-yl-aethan；1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole；1-[2-(benzotriazol-2-yl)ethyl]benzotriazole
• CAS: 116477-11-3
• 化学式: C₁₄H₁₂N₆
• 分子量: 264.289
• InChiKey: JSPKDGODLNHTMD-UHFFFAOYSA-N

物化性质

• 熔点：
  125 °C(Solv: dichloromethane (75-09-2))
• 沸点：
  504.9±52.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-benzotriazol-1-yl-2-benzotriazol-2-ylethane 、 copper(I) bromide 在 KBr 作用下， 以 水 为溶剂， 以70%的产率得到([CuBr](1,2-bis(benzenetriazol-1,2-yl)ethane))(n)
  参考文献：
  名称：

  Synthesis, Crystal Structures, and Photoluminescent Properties of the Cu(I)/X/α,ω-Bis(benzotriazole)alkane Hybrid Family (X = Cl, Br, I, and CN)

  摘要：

  This work focused on a systematic investigation of the influences of the spacer length of the flexible alpha,omega-bis(benzotriazole)alkane ligands and counteranions on the overall molecular architectures of hybrid structures that include Cu(I), Using the self-assembly of CuX (X = Cl, Br, I, or CN) with the five structurally related flexible organic ligands (L1-L5) under hydro(solvo)thermal conditions, we have synthesized and characterized 10 structurally unique materials of the Cu(I)/X/alpha,omega-bis(benzotriazole)alkane organic-inorganic hybrid family, {[CuCl](2)(L1)}(n), (1), {[CuBr](L2)}(n) (2), {[CuCl](2)(L3)}(n) (3), ([Cul](2)(L4)}(n) (4), {[CuBr](2)(L4)}(n) (5), {[CuBr](3)(L5)}(n) (6), {[CuCN](2)(L1)}(n) (7), {[CuCl](4)(L2)}(n) (8), {[CuBr](4)(L2)}(n) (9), and {[CuCl](2)(L4)(n) (10), by means of elemental analyses, X-ray powder diffraction, Fourier transform infrared spectroscopy, thermogravimetric analysis, and photoluminescence measurements. Single-crystal X-ray analyses showed that the inorganic subunits in these compounds were {Cu2X2} binuclear clusters (1 and 2), {Cu4X4} cubane clusters (4, 5, and 10), {CuX}(n) single chains (3 and 7), a {CU3X3}(n) ladderlike chain (6), and unprecedented {Cu8X8}(n) ribbons (8 and 9). The increasing dimensionality from 1-D (1-4) to 2-D (5 and 6) to 3-D (7-10) indicates that the spacer length and isomerism of the bis(benzotriazole)alkane ligands play an essential role in the formation of the framework of the Cu(I) hybrid materials, The influence of counteranions and pi-pi stacking interactions on the formation and dimensionality of these hybrid coordination polymers has also been explored. In addition, all the complexes exhibit high thermal stability and strong fluorescence properties in the solid state at ambient temperature.

  DOI：

  10.1021/ic801574k
• 作为产物：
  描述：

  1,2-二溴乙烷 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-benzotriazol-1-yl-2-benzotriazol-2-ylethane
  参考文献：
  名称：

  Krollpfeiffer et al., Chemische Berichte, 1938, vol. 71, p. 596,602

  摘要：

  DOI：

文献信息

• Diez-Barra, Enrique; Hoz, Antonio de la; Sanchez-Migallon, Ana, Heterocycles, 1992, vol. 34, # 7, p. 1365 - 1373
  作者：Diez-Barra, Enrique、Hoz, Antonio de la、Sanchez-Migallon, Ana、Tejeda, Juan

  DOI：——

  日期：——
• Torres, J.; Lavandera, J. L.; Cabildo, P., Journal of Heterocyclic Chemistry, 1988, vol. 25, p. 771 - 782
  作者：Torres, J.、Lavandera, J. L.、Cabildo, P.、Claramunt, R. M.、Elguero, J.

  DOI：——

  日期：——
• Torres, Jesus; Lavandera, Jose Luis; Cabildo, P., Bulletin des Societes Chimiques Belges, 1992, vol. 101, # 1, p. 29 - 36
  作者：Torres, Jesus、Lavandera, Jose Luis、Cabildo, P.、Claramunt, R. M.、Elguero, Jose

  DOI：——

  日期：——
• TORRES, J.;LAVANDERA, J. L.;CABILDO, P.;CLARAMUNT, R. M.;ELGUERO, J., J. HETEROCYCL. CHEM., 25,(1988) N 3, C. 771-782
  作者：TORRES, J.、LAVANDERA, J. L.、CABILDO, P.、CLARAMUNT, R. M.、ELGUERO, J.

  DOI：——

  日期：——
• Krollpfeiffer et al., Chemische Berichte, 1938, vol. 71, p. 596,602
  作者：Krollpfeiffer et al.

  DOI：——

  日期：——