2-[2,6-Di(propan-2-yl)phenyl]-5-[7-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinolin-5-yl]naphthalen-2-yl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione | 1449490-06-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2-[2,6-Di(propan-2-yl)phenyl]-5-[7-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinolin-5-yl]naphthalen-2-yl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione
• 英文别名: 2-[2,6-di(propan-2-yl)phenyl]-5-[7-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinolin-5-yl]naphthalen-2-yl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione
• CAS: 1449490-06-5
• 化学式: C₇₀H₇₂B₂N₂O₈
• 分子量: 1090.97
• InChiKey: SZQUODIQAAGUSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.17
• 重原子数：
  82
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-[2,6-Di(propan-2-yl)phenyl]-5-[7-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinolin-5-yl]naphthalen-2-yl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione 在 dichloro( 1,5-cyclooctadiene)platinum(ll) 、 cesium fluoride 作用下， 以 1,4-二氧六环 为溶剂， 反应 34.0h， 以268mg的产率得到
  参考文献：
  名称：

  Convergent synthesis of hexameric naphthylene macrocycles with dicarboxylic imide appendages

  摘要：

  A series of macrocyclic compounds, [6]cyclo-2,7-naphthylenes ([6]CNAP), composed of six naphthylene units are synthesized through a [3+3] convergent route in good to moderate yields. The synthesis method allowed for the introduction of dicarboxylic imide moieties to the naphthylene units. Crystallographic analysis of a derivative possessing four imide groups showed a trimeric columnar assembly with an alignment of nanometer-sized macrocyclic pores. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.025
• 作为产物：
  描述：

  8,8'-(naphthalene-2,7-diyl)bis(5-bromo-2-(2,6-diisopropylphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione) 、 联硼酸频那醇酯 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以68%的产率得到2-[2,6-Di(propan-2-yl)phenyl]-5-[7-[2-[2,6-di(propan-2-yl)phenyl]-1,3-dioxo-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinolin-5-yl]naphthalen-2-yl]-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[de]isoquinoline-1,3-dione
  参考文献：
  名称：

  Convergent synthesis of hexameric naphthylene macrocycles with dicarboxylic imide appendages

  摘要：

  A series of macrocyclic compounds, [6]cyclo-2,7-naphthylenes ([6]CNAP), composed of six naphthylene units are synthesized through a [3+3] convergent route in good to moderate yields. The synthesis method allowed for the introduction of dicarboxylic imide moieties to the naphthylene units. Crystallographic analysis of a derivative possessing four imide groups showed a trimeric columnar assembly with an alignment of nanometer-sized macrocyclic pores. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.025