1,3,5-tris((4-(tert-butyl)phenoxy)methyl)benzene | 1190113-90-6

• 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: 1,3,5-tris((4-(tert-butyl)phenoxy)methyl)benzene
• CAS: 1190113-90-6
• 化学式: C₃₉H₄₈O₃
• 分子量: 564.808
• InChiKey: AXGDXSXZAJALBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.32
• 重原子数：
  42.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-tert-butyl-4-(prop-2-yn-1-yloxy)benzene 在 iron(III) chloride 、 bis(trimethylsilyl)amide yttrium(III) 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 1,2,4-tris(4-tert-butylphenoxymethyl)benzene 、 1,3,5-tris((4-(tert-butyl)phenoxy)methyl)benzene
  参考文献：
  名称：

  Switching from Dimerization to Cyclotrimerization Selectivity by FeCl₃ in the Y[N(TMS)₂]₃-Catalyzed Transformation of Terminal Alkynes: A New Strategy for Controlling the Selectivity of Organolanthanide-Based Catalysis

  摘要：

  Y[N(TMS)(2)](3)/FeCl3 has been found to be an efficient bimetallic catalyst system for the cyclotrimerization of terminal alkynes, which cannot be achieved by either trivalent iron or trivalent lanthanide catalysts. Furthermore, this reaction also occurs efficiently in the presence of Fe[N(TMS)(2)](3) and YCl3. Both aromatic and aliphatic alkynes are compatible with this catalytic system. It is postulated that the catalytic cyclotrimerization proceeds through a tandem intermolecular diinsertion of alkynes into the yttrium-alkynyl bond and intramolecular electrophilic addition of a pi-coordinated alkyne moiety, and the pi-coordination of Fe3+ to alkyne may play an important role in controlling the insertion degree of advancement and selectivity. The observed catalytic reaction is sharply in contrast with the cyclotrimerization of alkynes, known to proceed through a typical metallacyclopentadiene intermediate.

  DOI：

  10.1021/om100402h

文献信息

• Kotha, Sambasivarao; Bansal, Dccpti; Kumar, Ramanatham Vinod, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2009, vol. 48, # 2, p. 225 - 230
  作者：Kotha, Sambasivarao、Bansal, Dccpti、Kumar, Ramanatham Vinod

  DOI：——

  日期：——