2-(10-{4-[Tris-(4-tert-butyl-phenyl)-methyl]-phenoxy}-decyl)-isoindole-1,3-dione | 866229-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(10-{4-[Tris-(4-tert-butyl-phenyl)-methyl]-phenoxy}-decyl)-isoindole-1,3-dione
• CAS: 866229-45-0
• 化学式: C₅₅H₆₇NO₃
• 分子量: 790.142
• InChiKey: XIYIFIGNXPZBOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.76
• 重原子数：
  59.0
• 可旋转键数：
  16.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.61
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(10-{4-[Tris-(4-tert-butyl-phenyl)-methyl]-phenoxy}-decyl)-isoindole-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以91%的产率得到10-[4-[tris(4-tert-butylphenyl)methyl]phenoxy]decan-1-amine
  参考文献：
  名称：

  Self-assembly of a new series of quadruply hydrogen bonded heterotrimers driven by the donor–acceptor interaction

  摘要：

  This paper describes the self-assembly of a new series of heterotrimers in chloroform-d by utilizing the cooperative interaction of hydrogen bonding and donor-acceptor interaction. Compounds 1 and 11, in which an 2-ureido-4[1H]-pyrimidinone unit is connected to 34-crown-10 or 36-crown-10, were used as donor monomer, and 2 and 19, in which an 2-ureido-4[1H]-pyrimidinone unit is connected to NDI, were used as acceptor monomer, while linear compound 4, which contains two diamido-1,8-naphthyridines, was used as template. A large tri-p-(t-butyl)phenylmethoxyl group was introduced to 19 in order to compare its assembling behavior with that of 2. Mixing 4 with dimer 1 (.) 2 caused 1 (.) 2 to fully decompose and to afford 55% of 'in-in'-oriented heterotrimer 1 (.) 4 (.) 2. Adding 4 to the solution of 2 (.) 11 or 11 (.) 19 in chloroform-d also led to full dissociation of the dimers. However, in these systems the 'in-in'-arranged heterotrimer 2 (.) 4 (.) 11 or 11 (.) 4 (.) 19 could be produced exclusively. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.07.075
• 作为产物：
  描述：

  2-(10-溴癸基)-1H-异吲哚-1,3(2H)-二酮 、 4-[tris-(4-tert-butylphenyl)methyl]phenol 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以90%的产率得到2-(10-{4-[Tris-(4-tert-butyl-phenyl)-methyl]-phenoxy}-decyl)-isoindole-1,3-dione
  参考文献：
  名称：

  Self-assembly of a new series of quadruply hydrogen bonded heterotrimers driven by the donor–acceptor interaction

  摘要：

  This paper describes the self-assembly of a new series of heterotrimers in chloroform-d by utilizing the cooperative interaction of hydrogen bonding and donor-acceptor interaction. Compounds 1 and 11, in which an 2-ureido-4[1H]-pyrimidinone unit is connected to 34-crown-10 or 36-crown-10, were used as donor monomer, and 2 and 19, in which an 2-ureido-4[1H]-pyrimidinone unit is connected to NDI, were used as acceptor monomer, while linear compound 4, which contains two diamido-1,8-naphthyridines, was used as template. A large tri-p-(t-butyl)phenylmethoxyl group was introduced to 19 in order to compare its assembling behavior with that of 2. Mixing 4 with dimer 1 (.) 2 caused 1 (.) 2 to fully decompose and to afford 55% of 'in-in'-oriented heterotrimer 1 (.) 4 (.) 2. Adding 4 to the solution of 2 (.) 11 or 11 (.) 19 in chloroform-d also led to full dissociation of the dimers. However, in these systems the 'in-in'-arranged heterotrimer 2 (.) 4 (.) 11 or 11 (.) 4 (.) 19 could be produced exclusively. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.07.075