hexa(imidazol-1-yl)benzene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: hexa(imidazol-1-yl)benzene
• 英文别名: 1,2,3,4,5,6-Hexa(1H-imidazol-1-yl)benzene；1-[2,3,4,5,6-penta(imidazol-1-yl)phenyl]imidazole
• 化学式: C₂₄H₁₈N₁₂
• 分子量: 474.487
• InChiKey: JMVKQZSXGATQNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  triethyloxonium fluoroborate 、 hexa(imidazol-1-yl)benzene 以 乙腈 为溶剂， 反应 1.0h， 以78%的产率得到hexa(3-ethylimidazol-1-yl)benzene tetrafuoroborate
  参考文献：
  名称：

  Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene–Hexa-N-heterocyclic Carbenes

  摘要：

  In this work we describe the preparation of a new benzenehexaimidazolylidene ligand, which we have coordinated to silver and gold. The new complexes constitute unique examples of cylinder-like macromolecular arrangements, in which six metal atoms are sandwiched between two hexacarbene ligands.

  DOI：

  10.1021/om500729b
• 作为产物：
  描述：

  咪唑 、 六氟苯 在 sodium hydride 作用下， 生成 hexa(imidazol-1-yl)benzene
  参考文献：
  名称：

  芳香推进剂。第 10 部分。通过 NMR 和 AM1 计算对六（咪唑-1-基）苯和六（2-甲基咪唑-1-基）苯进行构象研究

  摘要：

  摘要 六(咪唑-1-基)苯, (imz) 6 bz 和六(2-甲基咪唑-1-基)苯, (mimz) 6 bz, 已由六氟苯和咪唑或 2-甲基咪唑阴离子在四氢呋喃中合成. (imz) 6 bz 和 (mimz) 6 bz 的八种可能构象异构体的稳定性已通过 AM1 水平的半经验计算进行估计。在这两种化合物中，绝对最小值对应于连续咪唑环的 β 氮孤对交替朝向苯平面的两侧的构象。虽然在 (imz) 6 bz 中仅观察到对应于独特咪唑的环信号，但已通过 1 H 和 13 C NMR 光谱确定 (mimz) 6 bz 中存在八个构象异构体。

  DOI：

  10.1016/s0022-2860(98)00801-1

文献信息

• Aromatic propellenes. Part 10. Conformational study of hexa(imidazol-1-yl)benzene and hexakis(2-methylimidazol-1-yl)benzene by means of NMR and AM1 calculations
  作者：Marı́a Dolores Santa Marı́a、Pilar Cornago、Rosa Marı́a Claramunt、José Elguero、Cristina Fernández-Castaño、Concepción Foces-Foces

  DOI：10.1016/s0022-2860(98)00801-1

  日期：1999.3

  stabilities of the eight possible conformers of (imz) 6 bz and (mimz) 6 bz have been estimated by semi-empirical calculations at the AM1 level. In both compounds, the absolute minimum corresponds to the conformation in which the β nitrogen lone pair of consecutive imidazole rings is alternately oriented to opposite sides of the benzene plane. While in (imz) 6 bz only the ring signals corresponding to a unique

  摘要 六(咪唑-1-基)苯, (imz) 6 bz 和六(2-甲基咪唑-1-基)苯, (mimz) 6 bz, 已由六氟苯和咪唑或 2-甲基咪唑阴离子在四氢呋喃中合成. (imz) 6 bz 和 (mimz) 6 bz 的八种可能构象异构体的稳定性已通过 AM1 水平的半经验计算进行估计。在这两种化合物中，绝对最小值对应于连续咪唑环的 β 氮孤对交替朝向苯平面的两侧的构象。虽然在 (imz) 6 bz 中仅观察到对应于独特咪唑的环信号，但已通过 1 H 和 13 C NMR 光谱确定 (mimz) 6 bz 中存在八个构象异构体。
• Henrie, Robert N.; Yeager, Walter H., Heterocycles, 1993, vol. 35, # 1, p. 415 - 426
  作者：Henrie, Robert N.、Yeager, Walter H.

  DOI：——

  日期：——
• TRANSPARENT ELECTRODE, AND ELECTRONIC DEVICE
  申请人：KONICA MINOLTA, INC.

  公开号：US20150311467A1

  公开（公告）日：2015-10-29

  A transparent electrode is configured which is provided with: a nitrogen-containing layer; a conductive layer which is provided abutting the nitrogen-containing layer, and which has silver as a main component thereof; a high refractive index layer having a refractive index higher than that of the nitrogen-containing layer; and a low refractive index layer having a refractive index lower than that of the high refractive index layer. In the nitrogen-containing layer, a compound is used which includes nitrogen atoms, and which has, in cases when n represents the number of unshared electron pairs which are not involved in aromaticity and which are not coordinated to metal, from among the unshared electron pairs of the nitrogen atoms, and M represents molecular weight, an effective unshared-electron-pair content [n/M] that satisfies 2.0×10 −3 ≦[n/M].
• US9871220B2
  申请人：——

  公开号：US9871220B2

  公开（公告）日：2018-01-16
• Hexanuclear Cylinder-Shaped Assemblies of Silver and Gold from Benzene–Hexa-N-heterocyclic Carbenes
  作者：Candela Segarra、Gregorio Guisado-Barrios、F. Ekkehardt Hahn、Eduardo Peris

  DOI：10.1021/om500729b

  日期：2014.10.13

  In this work we describe the preparation of a new benzenehexaimidazolylidene ligand, which we have coordinated to silver and gold. The new complexes constitute unique examples of cylinder-like macromolecular arrangements, in which six metal atoms are sandwiched between two hexacarbene ligands.