37,37,38,38,39,39,40,40,41,41,42,42-Dodecamethyl-5,6,11,12,17,18,23,24,29,30,35,36-dodecazaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetraconta-1(36),4,6,10,12,16,18,22,24,28,30,34-dodecaene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环化合物
• 英文名称: 37,37,38,38,39,39,40,40,41,41,42,42-Dodecamethyl-5,6,11,12,17,18,23,24,29,30,35,36-dodecazaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetraconta-1(36),4,6,10,12,16,18,22,24,28,30,34-dodecaene
• 化学式: C₄₂H₆₀N₁₂
• 分子量: 733.019
• InChiKey: KAHPGYUBYBGVMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  148
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,2,7,7,12,12,17,17,22,22,27,27-Dodecamethyl-cyclotriacontane-1,3,6,8,11,13,16,18,21,23,26,28-dodecaone 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以41%的产率得到37,37,38,38,39,39,40,40,41,41,42,42-Dodecamethyl-5,6,11,12,17,18,23,24,29,30,35,36-dodecazaheptacyclo[32.2.1.14,7.110,13.116,19.122,25.128,31]dotetraconta-1(36),4,6,10,12,16,18,22,24,28,30,34-dodecaene
  参考文献：
  名称：

  From calixfurans to heterocyclophanes containing isopyrazole units

  摘要：

  Cyclic poly-1,4-diketones 2, obtained by the oxidation of the furan units present in calix[4]furan 1a and calix[6]furan 1c have been converted into the novel heterocyclophanes 4a and 4c containing four and six isopyrazole units, respectively. Solution studies have demonstrated the ability,of 4a and 4c to act as ligands for transition metals. The crystal structures of 4a and the coordination compound formed by 4c with 2 equiv. of CiS-PtCl2(DMSO)(2) have been determined. In the solid state 4c is shown to bind aromatic substrates within its cavity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.028

文献信息

• From calixfurans to heterocyclophanes containing isopyrazole units
  作者：Grazia Cafeo、Domenico Garozzo、Franz H Kohnke、Sebastiano Pappalardo、Melchiorre F Parisi、Rosetta Pistone Nascone、David J Williams

  DOI：10.1016/j.tet.2003.12.028

  日期：2004.2

  Cyclic poly-1,4-diketones 2, obtained by the oxidation of the furan units present in calix[4]furan 1a and calix[6]furan 1c have been converted into the novel heterocyclophanes 4a and 4c containing four and six isopyrazole units, respectively. Solution studies have demonstrated the ability,of 4a and 4c to act as ligands for transition metals. The crystal structures of 4a and the coordination compound formed by 4c with 2 equiv. of CiS-PtCl2(DMSO)(2) have been determined. In the solid state 4c is shown to bind aromatic substrates within its cavity. (C) 2003 Elsevier Ltd. All rights reserved.