tert-butyl N-[3-[3,5-bis[2-[4-[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenyl]ethynyl]phenoxy]propyl]carbamate | 1246452-39-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: tert-butyl N-[3-[3,5-bis[2-[4-[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenyl]ethynyl]phenoxy]propyl]carbamate
• CAS: 1246452-39-0
• 化学式: C₅₈H₅₃NO₃
• 分子量: 812.064
• InChiKey: WHUGCINLJUVLRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  62
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[3-[3,5-bis[2-[4-[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenyl]ethynyl]phenoxy]propyl]carbamate 在 copper(l) chloride 、 copper dichloride 作用下， 以 吡啶 为溶剂， 反应 48.0h， 以20%的产率得到
  参考文献：
  名称：

  Self-Organization of Coil−Ring−Coil Structures into Tubular Supramolecular Polymer Brushes: Synthesis, Morphology, and Growth

  摘要：

  Shape-persistent macrocycles based on the phenylene-ethynylene-butadiynylene backbone with extraannular amino groups were synthesized by the oxidative dimerization of. the corresponding (BOC-protected) half-ring bisacetylenes. ABA block structures with a central rigid macrocycle and a flexible periphery (oligoalkyl and oligostyryl groups) were subsequently obtained by carbodiimide directed coupling of the macrocyclic diamines with the corresponding carboxylic acids. Depending on the solvent, an aggregation of the compounds toward tubular supramolecular polymer brushes could be induced. Cryogenic transmission electron microscopy and small-angle neutron scattering reveal the tubelike aggregates in solution. Atomic force microscopy confirms the morphology of these aggregates after casting onto surfaces. The aggregate growth occurs remarkably slowly. Solvophobic interactions-good solubility of the flexible substituents and weak solubility of the rigid macrocycle-combined with the oblate shape of the latter are determined as driving forces for the directed self-organization.

  DOI：

  10.1021/ma1016242
• 作为产物：
  描述：

  3,5-二碘甲苯 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 potassium carbonate 、 一水合肼 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 tert-butyl N-[3-[3,5-bis[2-[4-[2-(3-tert-butyl-5-ethynylphenyl)ethynyl]phenyl]ethynyl]phenoxy]propyl]carbamate
  参考文献：
  名称：

  Self-Organization of Coil−Ring−Coil Structures into Tubular Supramolecular Polymer Brushes: Synthesis, Morphology, and Growth

  摘要：

  Shape-persistent macrocycles based on the phenylene-ethynylene-butadiynylene backbone with extraannular amino groups were synthesized by the oxidative dimerization of. the corresponding (BOC-protected) half-ring bisacetylenes. ABA block structures with a central rigid macrocycle and a flexible periphery (oligoalkyl and oligostyryl groups) were subsequently obtained by carbodiimide directed coupling of the macrocyclic diamines with the corresponding carboxylic acids. Depending on the solvent, an aggregation of the compounds toward tubular supramolecular polymer brushes could be induced. Cryogenic transmission electron microscopy and small-angle neutron scattering reveal the tubelike aggregates in solution. Atomic force microscopy confirms the morphology of these aggregates after casting onto surfaces. The aggregate growth occurs remarkably slowly. Solvophobic interactions-good solubility of the flexible substituents and weak solubility of the rigid macrocycle-combined with the oblate shape of the latter are determined as driving forces for the directed self-organization.

  DOI：

  10.1021/ma1016242