(E)-1-iodo-1-(4-chlorophenyl)-3,3,3-trifluoropropene | 1111072-20-8

• 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: (E)-1-iodo-1-(4-chlorophenyl)-3,3,3-trifluoropropene
• CAS: 1111072-20-8
• 化学式: C₉H₅ClF₃I
• 分子量: 332.491
• InChiKey: IOFMLUZWSRYJEQ-VMPITWQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.68
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  N,N-二乙氨基炔丙胺甲酸盐 、 (E)-1-iodo-1-(4-chlorophenyl)-3,3,3-trifluoropropene 在 四(三苯基膦)钯 copper(l) iodide 、 三乙胺 作用下， 反应 8.0h， 以81%的产率得到(E)-4-(4-chlorophenyl)-N,N-diethyl-6,6,6-trifluorohex-4-en-2-yl-1-amine
  参考文献：
  名称：

  Regio- and stereo-specific preparation of (E)-1-aryl-3,3,3-trifluoro-1-iodo-propenes and their palladium-catalyzed reaction with terminal alkynes

  摘要：

  A new type of iodo-containing trifluoromethylated building blocks were synthesized. The reaction of 1-aryl-3,3,3-trifluoropropynes 1 with lithium iodide in acetic acid at 75 degrees C gave (E)-1-aryl-3,3,3-trifluoro-1-iodo-propenes 2 in high yield, which undergo the palladium-catalyzed Sonogashira reaction with terminal alkynes afforded trifluoromethyl-containing 1,3-enynes in high yield. (c) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2008.01.002
• 作为产物：
  描述：

  1-氯-4-(3,3,3-三氟丙-1-炔基)苯 在 lithium iodide 作用下， 以 溶剂黄146 为溶剂， 反应 16.0h， 以89%的产率得到(E)-1-iodo-1-(4-chlorophenyl)-3,3,3-trifluoropropene
  参考文献：
  名称：

  Regio- and stereo-specific preparation of (E)-1-aryl-3,3,3-trifluoro-1-iodo-propenes and their palladium-catalyzed reaction with terminal alkynes

  摘要：

  A new type of iodo-containing trifluoromethylated building blocks were synthesized. The reaction of 1-aryl-3,3,3-trifluoropropynes 1 with lithium iodide in acetic acid at 75 degrees C gave (E)-1-aryl-3,3,3-trifluoro-1-iodo-propenes 2 in high yield, which undergo the palladium-catalyzed Sonogashira reaction with terminal alkynes afforded trifluoromethyl-containing 1,3-enynes in high yield. (c) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.jfluchem.2008.01.002