3,4,5-tris(octadecyloxy)benzyl 4-((4-methoxyphenyl)ethynyl)benzoate | 1019638-94-8

• 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: 3,4,5-tris(octadecyloxy)benzyl 4-((4-methoxyphenyl)ethynyl)benzoate
• 英文别名: (3,4,5-Trioctadecoxyphenyl)methyl 4-[2-(4-methoxyphenyl)ethynyl]benzoate；(3,4,5-trioctadecoxyphenyl)methyl 4-[2-(4-methoxyphenyl)ethynyl]benzoate
• CAS: 1019638-94-8
• 化学式: C₇₇H₁₂₆O₆
• 分子量: 1147.84
• InChiKey: NDWQAXVPIYDDRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.7
• 重原子数：
  83
• 可旋转键数：
  61
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-iodobenzoic acid 3,4,5-tris-octadecyloxybenzyl ester 、 4-乙炔基苯甲醚 在 bis-triphenylphosphine-palladium(II) chloride copper(l) iodide 、 三乙胺 作用下， 以 环己烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以99%的产率得到3,4,5-tris(octadecyloxy)benzyl 4-((4-methoxyphenyl)ethynyl)benzoate
  参考文献：
  名称：

  A cycloalkane-based thermomorphic system for palladium-catalyzed cross-coupling reactions

  摘要：

  In this paper, we describe a practical and efficient protocol for Sonogashira, Suzuki-Miyaura, and Mizoroki-Heck cross-coupling using a CBT system. The use of substrates with cycloalkane-soluble tags facilitates separation of the desired products and the homogeneous Pd catalyst via simple liquid-liquid extraction, thereby eliminating the need for a catalyst removal process. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.034

文献信息

• A cycloalkane-based thermomorphic system for palladium-catalyzed cross-coupling reactions
  作者：Shokaku Kim、Keisuke Yamamoto、Kanako Hayashi、Kazuhiro Chiba

  DOI：10.1016/j.tet.2008.01.034

  日期：2008.3

  In this paper, we describe a practical and efficient protocol for Sonogashira, Suzuki-Miyaura, and Mizoroki-Heck cross-coupling using a CBT system. The use of substrates with cycloalkane-soluble tags facilitates separation of the desired products and the homogeneous Pd catalyst via simple liquid-liquid extraction, thereby eliminating the need for a catalyst removal process. (C) 2008 Elsevier Ltd. All rights reserved.