1-(1-adamantyl)-1,3,4-triazole | 103380-77-4

• 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-(1-adamantyl)-1,3,4-triazole
• 英文别名: 4-(adamantan-1-yl)-1,2,4-triazole；4-(1-Adamantyl)-4H-1,2,4-triazole；4-(1-adamantyl)-1,2,4-triazole
• CAS: 103380-77-4
• 化学式: C₁₂H₁₇N₃
• 分子量: 203.287
• InChiKey: VJFJXKVGOAYXIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cadmium(II) bromide tetrahydrate 、 1-(1-adamantyl)-1,3,4-triazole 以 甲醇 为溶剂， 以75%的产率得到[Cd2(4-(adamantan-1-yl)-1,2,4-triazole)7Br2][Cd(4-(adamantan-1-yl)-1,2,4-triazole)Br3]2
  参考文献：
  名称：

  Polynuclear and polymeric metal complexes based upon 1,2,4-triazolyl functionalized adamantanes

  摘要：

  A series of coordination compounds [Cd-2(trad)(7)Br-2][Cd(trad)Br-3](2) (1), [Cd-3(trad)(6){N(CN)(2)}(4)(H2O)(2)](N(CN)(2))(2) (2), [{Cd-2(trad)(5)}{Cd(N(CN)(2))(6)}]center dot 3CH(3)OH (3), [{Cd-3(trad)(6)(SeCN)(2)}{Cd(SeCN)(4)}(2)] (4), [Cd-2(trad)(3) (NCS)(4)] (5), [Cd-3(tr(2)ad)(3)(mu-NCS)(3)](NCS)(3) (6), [Cd-3(tr(2)ad)(6)](NO3)(6)center dot 22H(2)O (7), [Cu-3(tr(2)ad)(4)(SO4)(H2O)(3)] (SO4)(2)center dot 34H(2)O (8) and [Cu-2(OH)(tr(2)ad)(2)](NO3)(3)center dot 4H(2)O (9) (trad = 4-(adamantan-1-yl)-1,2,4-triazole; tr(2)ad = 1,3-bis(1,2,4-triazol-4-yl)-adamantane) revealed the potential of 1,2,4-triazolyl functionalized adamantanes for design of metal-organic polymers incorporating polynuclear coordination units as multiconnected nodes. Structures 1-5 are based upon characteristic di- and trinuclear clusters involving triple triazole bridges [M(mu(2)-trad)(3)M] (M = Cd), while doubling of the ligand functionality (tr(2)ad) allows integration of the clusters into 3D polymeric frameworks 6-9 (M = Cd, Cu). (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.061
• 作为产物：
  描述：

  1-溴金刚烷 、 1H-1,2,4-三唑 以3%的产率得到1-(1-adamantyl)-1,3,4-triazole
  参考文献：
  名称：

  Gonzalez; Alarcon; Cabildo, European Journal of Medicinal Chemistry, 1985, vol. 20, # 4, p. 359 - 362

  摘要：

  DOI：

文献信息

• Polynuclear and polymeric metal complexes based upon 1,2,4-triazolyl functionalized adamantanes
  作者：Ganna A. Senchyk、Andrey B. Lysenko、Eduard B. Rusanov、Alexander N. Chernega、Harald Krautscheid、Konstantin V. Domasevitch

  DOI：10.1016/j.ica.2009.05.061

  日期：2009.9

  A series of coordination compounds [Cd-2(trad)(7)Br-2][Cd(trad)Br-3](2) (1), [Cd-3(trad)(6)N(CN)(2)}(4)(H2O)(2)](N(CN)(2))(2) (2), [Cd-2(trad)(5)}Cd(N(CN)(2))(6)}]center dot 3CH(3)OH (3), [Cd-3(trad)(6)(SeCN)(2)}Cd(SeCN)(4)}(2)] (4), [Cd-2(trad)(3) (NCS)(4)] (5), [Cd-3(tr(2)ad)(3)(mu-NCS)(3)](NCS)(3) (6), [Cd-3(tr(2)ad)(6)](NO3)(6)center dot 22H(2)O (7), [Cu-3(tr(2)ad)(4)(SO4)(H2O)(3)] (SO4)(2)center dot 34H(2)O (8) and [Cu-2(OH)(tr(2)ad)(2)](NO3)(3)center dot 4H(2)O (9) (trad = 4-(adamantan-1-yl)-1,2,4-triazole; tr(2)ad = 1,3-bis(1,2,4-triazol-4-yl)-adamantane) revealed the potential of 1,2,4-triazolyl functionalized adamantanes for design of metal-organic polymers incorporating polynuclear coordination units as multiconnected nodes. Structures 1-5 are based upon characteristic di- and trinuclear clusters involving triple triazole bridges [M(mu(2)-trad)(3)M] (M = Cd), while doubling of the ligand functionality (tr(2)ad) allows integration of the clusters into 3D polymeric frameworks 6-9 (M = Cd, Cu). (C) 2009 Elsevier B.V. All rights reserved.
• GONZALEZ, M. E.;ALARCON, B.;CABILDO, P.;CLARAMUNT, R. M.;SANZ, D.;ELGUERO+, EUR. J. MED. CHEM., 1985, 20, N 4, 359-362
  作者：GONZALEZ, M. E.、ALARCON, B.、CABILDO, P.、CLARAMUNT, R. M.、SANZ, D.、ELGUERO+

  DOI：——

  日期：——
• Gonzalez; Alarcon; Cabildo, European Journal of Medicinal Chemistry, 1985, vol. 20, # 4, p. 359 - 362
  作者：Gonzalez、Alarcon、Cabildo、et al.

  DOI：——

  日期：——