N-(4-((4-((4-((4-ethynyl-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)ethynyl)-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)formamide | 946073-45-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-((4-((4-((4-ethynyl-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)ethynyl)-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)formamide
• CAS: 946073-45-6
• 化学式: C₅₇H₆₇NO₅
• 分子量: 846.163
• InChiKey: OETCPVGLAHAPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.27
• 重原子数：
  63.0
• 可旋转键数：
  26.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.02
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(4-((4-((4-((4-ethynyl-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)ethynyl)-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)formamide 在 tris(dibenzylideneacetone)dipalladium (0) copper(l) iodide 、 三光气 、 苄基三乙基氯化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 、 氯仿 为溶剂， 反应 55.0h， 生成 thioacetic acid S-[4-(4-{4-[2,5-bis-hexyloxy-4-(4-isocyano-phenylethynyl)-phenylethynyl]-phenyl-ethynyl}-2,5-bis-hexyloxy-phenylethynyl)-phenyl] ester
  参考文献：
  名称：

  An effective, orthogonal deprotection strategy for differentially functionalized, linear and Y-shaped oligo phenylene ethynylenes

  摘要：

  Several methodologies for the selective deprotection acetylenes have been reported previously. However, as is shown here, they are often not reliable or convenient. Here, an approach is reported that is efficient and general. Use of this approach to synthesize several two- and three-armed oligo(phenylene ethynylene) molecules with differentiated end groups is reported. In addition, preliminary characterization of the fluorescent properties of some of these molecules and their ability to form self-assembled monolayers (SAMs) is reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.006
• 作为产物：
  描述：

  1,4-二(己氧基)-2,5-二碘苯 在 copper(l) iodide 、 tris(dibenzylideneacetone)dipalladium (0) 吡啶 、 sodium hydroxide 、 copper(l) iodide 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 为溶剂， 反应 216.17h， 生成 N-(4-((4-((4-((4-ethynyl-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)ethynyl)-2,5-bis(hexyloxy)phenyl)ethynyl)phenyl)formamide
  参考文献：
  名称：

  An effective, orthogonal deprotection strategy for differentially functionalized, linear and Y-shaped oligo phenylene ethynylenes

  摘要：

  Several methodologies for the selective deprotection acetylenes have been reported previously. However, as is shown here, they are often not reliable or convenient. Here, an approach is reported that is efficient and general. Use of this approach to synthesize several two- and three-armed oligo(phenylene ethynylene) molecules with differentiated end groups is reported. In addition, preliminary characterization of the fluorescent properties of some of these molecules and their ability to form self-assembled monolayers (SAMs) is reported. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.05.006