1,4-Bis(3-methyl-2-oxo-but-3-enyl)-benzol | 154147-72-5

• 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: 1,4-Bis(3-methyl-2-oxo-but-3-enyl)-benzol
• 英文别名: 3-Methyl-1-[4-(3-methyl-2-oxobut-3-enyl)phenyl]but-3-en-2-one
• CAS: 154147-72-5
• 化学式: C₁₆H₁₈O₂
• 分子量: 242.318
• InChiKey: GSLGRXBLDQAJBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-Bis(3-methyl-2-oxo-but-3-enyl)-benzol 在 盐酸 、 正丁基锂 作用下， 反应 16.67h， 生成 1,4-Bis(2-methyl-indolizin-1-yl-methyl)-benzol
  参考文献：
  名称：

  Mehrstufige reversible Redoxsysteme. LXI. Synthese von 1,4-Bis(2-methyl-indolizin-1-yl-methyl)-benzol und verwandter Modellverbindungen

  摘要：

  The synthesis of 1a, in which two 1-indolizine units are connected by a p-xylylene bridge is preformed from its 3,3'bis-acetyl derivative 1b via the precursors 8-11. This route was first tested by the synthesis of benzyl indolizines 2b and 2a via the pyridyl-aminopropanol 3a. 2a can be oxidatively dimerized to the 3,3'-bis-indolizine 6 which forms a perfectly reversible two step redox system with K-SEM=4.7 x 10(5).

  DOI：

  10.1002/prac.19943360108
• 作为产物：
  描述：

  1,4-Bis(2-cyan-3-methyl-2-trimethylsiloxy-but-3-enyl)-benzol 在 triethylamine tris(hydrogen fluoride) 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以81%的产率得到1,4-Bis(3-methyl-2-oxo-but-3-enyl)-benzol
  参考文献：
  名称：

  Mehrstufige reversible Redoxsysteme. LXI. Synthese von 1,4-Bis(2-methyl-indolizin-1-yl-methyl)-benzol und verwandter Modellverbindungen

  摘要：

  The synthesis of 1a, in which two 1-indolizine units are connected by a p-xylylene bridge is preformed from its 3,3'bis-acetyl derivative 1b via the precursors 8-11. This route was first tested by the synthesis of benzyl indolizines 2b and 2a via the pyridyl-aminopropanol 3a. 2a can be oxidatively dimerized to the 3,3'-bis-indolizine 6 which forms a perfectly reversible two step redox system with K-SEM=4.7 x 10(5).

  DOI：

  10.1002/prac.19943360108

文献信息

• US4380432A
  申请人：——

  公开号：US4380432A

  公开（公告）日：1983-04-19
• Mehrstufige reversible Redoxsysteme. LXI. Synthese von 1,4-Bis(2-methyl-indolizin-1-yl-methyl)-benzol und verwandter Modellverbindungen
  作者：S. H�nig、H. Sonnenschein

  DOI：10.1002/prac.19943360108

  日期：——

  The synthesis of 1a, in which two 1-indolizine units are connected by a p-xylylene bridge is preformed from its 3,3'bis-acetyl derivative 1b via the precursors 8-11. This route was first tested by the synthesis of benzyl indolizines 2b and 2a via the pyridyl-aminopropanol 3a. 2a can be oxidatively dimerized to the 3,3'-bis-indolizine 6 which forms a perfectly reversible two step redox system with K-SEM=4.7 x 10(5).