Z-2-(3,4,5-trifluorophenyl)methylene-7-ethylbenzo[b]thiophen-3(2H)-one | 1053183-58-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Z-2-(3,4,5-trifluorophenyl)methylene-7-ethylbenzo[b]thiophen-3(2H)-one
• 英文别名: (2Z)-7-ethyl-2-[(3,4,5-trifluorophenyl)methylidene]-1-benzothiophen-3-one
• CAS: 1053183-58-6
• 化学式: C₁₇H₁₁F₃OS
• 分子量: 320.335
• InChiKey: WYVWGJFMLABMIL-ZSOIEALJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Z-2-(3,4,5-trifluorophenyl)methylene-7-ethylbenzo[b]thiophen-3(2H)-one 在 水 作用下， 以 甲苯 为溶剂， 生成 E-2-(3,4,5-trifluorophenyl)methylene-7-ethylbenzo[b]thiophen-3(2H)-one
  参考文献：
  名称：

  Novel photoinduced cyclization of pentafluorophenylhemithioindigo

  摘要：

  Photoirradiation of the pentafluorophenyl-substituted Z-hemithioindigo 1 causes a novel type of photoinduced cyclization, to produce the intramolecularly cyclized alcohol 2 and its dehydrated ether 3. For this photoinduced cyclization, the o-fluorine atoms of the phenyl group of 1 are found to be crucial. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.03.019
• 作为产物：
  描述：

  2-乙基苯硫酚 在 哌啶 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 Z-2-(3,4,5-trifluorophenyl)methylene-7-ethylbenzo[b]thiophen-3(2H)-one
  参考文献：
  名称：

  Novel photoinduced cyclization of pentafluorophenylhemithioindigo

  摘要：

  Photoirradiation of the pentafluorophenyl-substituted Z-hemithioindigo 1 causes a novel type of photoinduced cyclization, to produce the intramolecularly cyclized alcohol 2 and its dehydrated ether 3. For this photoinduced cyclization, the o-fluorine atoms of the phenyl group of 1 are found to be crucial. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2007.03.019

文献信息

• Novel photoinduced cyclization of pentafluorophenylhemithioindigo
  作者：Kiyoshi Tanaka、Kiyoshi Kohayakawa、Takayuki Irie、Satoru Iwata、Kazuto Taguchi

  DOI：10.1016/j.jfluchem.2007.03.019

  日期：2007.10

  Photoirradiation of the pentafluorophenyl-substituted Z-hemithioindigo 1 causes a novel type of photoinduced cyclization, to produce the intramolecularly cyclized alcohol 2 and its dehydrated ether 3. For this photoinduced cyclization, the o-fluorine atoms of the phenyl group of 1 are found to be crucial. (C) 2007 Elsevier B.V. All rights reserved.