2-(4-ethoxycarbonylphenyl)-1-trifluoromethyl-3,4,5,6-tetraphenylbenzene | 1225289-16-6

• 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: 2-(4-ethoxycarbonylphenyl)-1-trifluoromethyl-3,4,5,6-tetraphenylbenzene
• 英文别名: ethyl 4-[2,3,4,5-tetraphenyl-6-(trifluoromethyl)phenyl]benzoate
• CAS: 1225289-16-6
• 化学式: C₄₀H₂₉F₃O₂
• 分子量: 598.664
• InChiKey: INWXVBGCSCNGTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 二苯基乙炔 以 甲苯 为溶剂， 反应 4.0h， 生成 2-(4-ethoxycarbonylphenyl)-1-trifluoromethyl-3,4,5,6-tetraphenylbenzene
  参考文献：
  名称：

  Selective synthesis of fluoroalkyl-containing multisubstituted benzenes through Co-mediated [2+2+2] cycloaddition reaction with fluoroalkylated alkynes

  摘要：

  The reaction of various fluoroalkylated alkynes with 1.2 equiv of Co-2(CO)(8) in toluene at room temperature for 30 mm took place smoothly to give the corresponding alkyne-cobalt complex quantitatively. Without its purification, treatment of the in situ-generated complex with 6.0 equiv of various nonfluorinated alkynes at 130 degrees C for 4 h provided monofluoroallcylated multisubstituted benzenes in moderate to good yields. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.06.013

文献信息

• Rhodium-catalyzed [2+2+2] cycloaddition of various fluorine-containing alkynes—novel synthesis of multi-substituted fluoroalkylated aromatic compounds
  作者：Tsutomu Konno、Kazuki Moriyasu、Ryoko Kinugawa、Takashi Ishihara

  DOI：10.1039/b926192c

  日期：——

  Treatment of various fluorinated internal alkynes with 10 mol% of RhCl3·H2O and 30 mol% of i-Pr2NEt in toluene at the reflux temperature for 18 h gave the corresponding trimerization products as an isomeric mixture in high yields. Cycloaddition using 1.0 equiv. of fluorinated alkynes and 2.0 equiv. of non-fluorinated alkynes under the same reaction conditions as in the trimerization led to mono- and

  用10 mol％的RhCl 3 ·H 2 O和30 mol％的RhCl 3 ·H 2 O处理各种氟化内部炔烃i -Pr 2 NEt 在 甲苯在回流温度下反应18小时，以高收率得到相应的三聚产物，为异构体混合物。使用1.0当量的Cycloaddition。氟化炔烃和2.0当量 在与三聚反应相同​​的反应条件下，非氟化炔烃的合成导致单氟烷基化和双氟烷基化苯高收率的衍生物，以及少量的三聚产物。的反应氟含双炔丙基醚的双氟与非氟化炔烃的反应平稳进行，从而以高至高收率得到相应的双环分子。
• Selective synthesis of fluoroalkyl-containing multisubstituted benzenes through Co-mediated [2+2+2] cycloaddition reaction with fluoroalkylated alkynes
  作者：Yukiho Sakaguchi、Yoshitomo Nakazaki、Kazuki Moriyasu、Tsutomu Konno

  DOI：10.1016/j.jfluchem.2015.06.013

  日期：2015.11

  The reaction of various fluoroalkylated alkynes with 1.2 equiv of Co-2(CO)(8) in toluene at room temperature for 30 mm took place smoothly to give the corresponding alkyne-cobalt complex quantitatively. Without its purification, treatment of the in situ-generated complex with 6.0 equiv of various nonfluorinated alkynes at 130 degrees C for 4 h provided monofluoroallcylated multisubstituted benzenes in moderate to good yields. (C) 2015 Elsevier B.V. All rights reserved.