2-tert-butyl-5-ethoxy-3,4-bis(trifluoromethyl)furan | 1129542-86-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-tert-butyl-5-ethoxy-3,4-bis(trifluoromethyl)furan
• 英文别名: 2-Tert-butyl-5-ethoxy-3,4-bis(trifluoromethyl)furan
• CAS: 1129542-86-4
• 化学式: C₁₂H₁₄F₆O₂
• 分子量: 304.232
• InChiKey: BILDXJCSULJKSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  22.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  tetracarbonyl[tert-butyl(ethoxy)methylene]iron(0) 、 六氟-2-丁炔 以 四氢呋喃 为溶剂， 以12%的产率得到2-tert-butyl-5-ethoxy-3,4-bis(trifluoromethyl)furan
  参考文献：
  名称：

  Incorporation of hexafluorobutyne into furans or phenols via reaction with iron(0) carbene or vinylketene complexes

  摘要：

  Reaction of iron(0) carbene complexes with hexafluorobut-2-yne produces 3,4-bis(trifluoromethylated)furans in a process that is favored for electron-rich carbenes. No traces of furannulation or benzannulation are observed with Group 6 Fischer carbenes. Reaction of hexafluorobut-2-yne with a vinylketene iron(0) complex gives a 2,3-bis-trifluoromethylated phenol. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.12.037

文献信息

• Incorporation of hexafluorobutyne into furans or phenols via reaction with iron(0) carbene or vinylketene complexes
  作者：Ravish K. Akhani、Atiq-ur-Rehman、Wayne F.K. Schnatter

  DOI：10.1016/j.tetlet.2008.12.037

  日期：2009.2

  Reaction of iron(0) carbene complexes with hexafluorobut-2-yne produces 3,4-bis(trifluoromethylated)furans in a process that is favored for electron-rich carbenes. No traces of furannulation or benzannulation are observed with Group 6 Fischer carbenes. Reaction of hexafluorobut-2-yne with a vinylketene iron(0) complex gives a 2,3-bis-trifluoromethylated phenol. (C) 2008 Elsevier Ltd. All rights reserved.