33,34-Dimethyl-8,16,24,32,33,34-hexazaheptacyclo[28.2.1.114,17.02,7.010,15.018,23.026,31]tetratriaconta-1(32),2,4,6,10(15),11,13,16,18,20,22,26(31),27,29-tetradecaene | 560086-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 33,34-Dimethyl-8,16,24,32,33,34-hexazaheptacyclo[28.2.1.114,17.02,7.010,15.018,23.026,31]tetratriaconta-1(32),2,4,6,10(15),11,13,16,18,20,22,26(31),27,29-tetradecaene
• 英文别名: 33,34-dimethyl-8,16,24,32,33,34-hexazaheptacyclo[28.2.1.114,17.02,7.010,15.018,23.026,31]tetratriaconta-1(32),2,4,6,10(15),11,13,16,18,20,22,26(31),27,29-tetradecaene
• CAS: 560086-63-7
• 化学式: C₃₀H₂₆N₆
• 分子量: 470.577
• InChiKey: UYDVKBUYNVSVJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  59.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,6-双(溴甲基)吡啶 、 33,34-Dimethyl-8,16,24,32,33,34-hexazaheptacyclo[28.2.1.114,17.02,7.010,15.018,23.026,31]tetratriaconta-1(32),2,4,6,10(15),11,13,16,18,20,22,26(31),27,29-tetradecaene 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 72.0h， 以75%的产率得到41,42-Dimethyl-1,9,17,25,40,41,42-heptazanonacyclo[15.15.7.18,11.124,27.134,38.02,7.010,15.018,23.026,31]dotetraconta-2,4,6,8,10(15),11,13,18,20,22,24,26(31),27,29,34(40),35,37-heptadecaene
  参考文献：
  名称：

  Synthesis and Metalation of a Chiral, Pyridine-Strapped, Cyclic Bis(benzimidazole) Ligand

  摘要：

  [GRAPHICS]Synthesis of a chiral, strapped, cyclic bis(benzimidazole) ligand is reported. This compound forms a stable, Jahn-Teller-distorted, octahedral Cu(II) complex in which the elongated axis is positioned within the main macrocycle. The C-2-symmetric bis(benzimidazole) core adopts a highly ruffled conformation with the ortho-substituted benzene rings located anti relative to the pyridine-bearing strap.

  DOI：

  10.1021/ol049954a
• 作为产物：
  描述：

  4-([1,3]dioxolan-2-yl)-1-methyl-2-(2-nitrophenyl)-1H-benzimidazole 在 palladium on activated charcoal 高氯酸 、 氢气 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 42.0h， 生成 33,34-Dimethyl-8,16,24,32,33,34-hexazaheptacyclo[28.2.1.114,17.02,7.010,15.018,23.026,31]tetratriaconta-1(32),2,4,6,10(15),11,13,16,18,20,22,26(31),27,29-tetradecaene
  参考文献：
  名称：

  Synthesis and Metalation of a Chiral, Pyridine-Strapped, Cyclic Bis(benzimidazole) Ligand

  摘要：

  [GRAPHICS]Synthesis of a chiral, strapped, cyclic bis(benzimidazole) ligand is reported. This compound forms a stable, Jahn-Teller-distorted, octahedral Cu(II) complex in which the elongated axis is positioned within the main macrocycle. The C-2-symmetric bis(benzimidazole) core adopts a highly ruffled conformation with the ortho-substituted benzene rings located anti relative to the pyridine-bearing strap.

  DOI：

  10.1021/ol049954a

文献信息

• Synthesis and Metalation of a Chiral, Pyridine-Strapped, Cyclic Bis(benzimidazole) Ligand
  作者：Tomasz Fekner、Judith Gallucci、Michael K. Chan

  DOI：10.1021/ol049954a

  日期：2004.3.1

  [GRAPHICS]Synthesis of a chiral, strapped, cyclic bis(benzimidazole) ligand is reported. This compound forms a stable, Jahn-Teller-distorted, octahedral Cu(II) complex in which the elongated axis is positioned within the main macrocycle. The C-2-symmetric bis(benzimidazole) core adopts a highly ruffled conformation with the ortho-substituted benzene rings located anti relative to the pyridine-bearing strap.