[(Z)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylhex-3-en-1-yn-3-yl] 2-(4-fluorophenyl)butanoate | 1392495-49-6

• 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: [(Z)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylhex-3-en-1-yn-3-yl] 2-(4-fluorophenyl)butanoate
• CAS: 1392495-49-6
• 化学式: C₃₁H₄₀F₂O₂Si
• 分子量: 510.74
• InChiKey: XTDZBDALNPUNAK-HYOGKJQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.04
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  ethyl(4-fluorophenyl)ketene 、 三异丙基硅基乙炔 在 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 [(E)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylhex-3-en-1-yn-3-yl] 2-(4-fluorophenyl)butanoate 、 [(Z)-4-(4-fluorophenyl)-1-tri(propan-2-yl)silylhex-3-en-1-yn-3-yl] 2-(4-fluorophenyl)butanoate
  参考文献：
  名称：

  Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes

  摘要：

  The first cross-reaction between a terminal silylacetylene and two ketene molecules leading to 1,3-enynes bearing a carboxylic ester group via double insertion of ketenes is achieved using a cationic rhodium complex catalyst. This reaction is applicable for various symmetrical and unsymmetrical ketenes with good stereoselectivities.

  DOI：

  10.1021/ol301897h

文献信息

• Rhodium-Catalyzed Three-Component Reaction between Silylacetylene and Two Ketenes Leading to 1,3-Enynes Bearing a Carboxylic Ester Group via Double Insertion of Ketenes
  作者：Kenichi Ogata、Itsuki Ohashi、Shin-ichi Fukuzawa

  DOI：10.1021/ol301897h

  日期：2012.8.17

  The first cross-reaction between a terminal silylacetylene and two ketene molecules leading to 1,3-enynes bearing a carboxylic ester group via double insertion of ketenes is achieved using a cationic rhodium complex catalyst. This reaction is applicable for various symmetrical and unsymmetrical ketenes with good stereoselectivities.