3,4,5-tris(octadecyloxy)benzyl 4-(4-hydroxybut-1-ynyl)-3-methylbenzoate | 1019638-96-0

• 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-hydroxybut-1-ynyl)-3-methylbenzoate
• 英文别名: (3,4,5-Trioctadecoxyphenyl)methyl 4-(4-hydroxybut-1-ynyl)-3-methylbenzoate；(3,4,5-trioctadecoxyphenyl)methyl 4-(4-hydroxybut-1-ynyl)-3-methylbenzoate
• CAS: 1019638-96-0
• 化学式: C₇₃H₁₂₆O₆
• 分子量: 1099.8
• InChiKey: BWMNKNJLNBTKMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  30
• 重原子数：
  79
• 可旋转键数：
  60
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3,4,5-tris(octadecyloxy)benzyl 4-iodo-3-methylbenzoate 、 3-丁炔-1-醇 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 6.0h， 以99%的产率得到3,4,5-tris(octadecyloxy)benzyl 4-(4-hydroxybut-1-ynyl)-3-methylbenzoate
  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.