1,2-bis[3-methyl-5-(p-methoxyphenyl)-2-thienyl]perfluorocyclopentene | 184355-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1,2-bis[3-methyl-5-(p-methoxyphenyl)-2-thienyl]perfluorocyclopentene
• 英文别名: 2,2'-(Hexafluorocyclopentene-1,2-diyl)bis[3-methyl-5-(4-methoxyphenyl)thiophene]；2-[3,3,4,4,5,5-hexafluoro-2-[5-(4-methoxyphenyl)-3-methylthiophen-2-yl]cyclopenten-1-yl]-5-(4-methoxyphenyl)-3-methylthiophene
• CAS: 184355-37-1
• 化学式: C₂₉H₂₂F₆O₂S₂
• 分子量: 580.615
• InChiKey: BILPGESWFVIYDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  39
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  74.9
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,2-bis[3-methyl-5-(p-methoxyphenyl)-2-thienyl]perfluorocyclopentene 以 正己烷 为溶剂， 生成 (3aS,3bS)-7,7,8,8,9,9-Hexafluoro-2,5-bis-(4-methoxy-phenyl)-3a,3b-dimethyl-3b,7,8,9-tetrahydro-3aH-1,6-dithia-trindene
  参考文献：
  名称：

  Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes

  摘要：

  Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes was examined. introduction of phenyl groups having electron-donating substituents on the para-position of the phenyl ring to the 5-position of the thiophene rings shifted the absorption bands of the open-ring isomers to longer wavelengths and reduced the quantum yield of the cyclization reactions. The substitution with p-(N,N-diethylamino)phenyl groups prohibited the cyclization reaction. The absorption spectra of the closed-ring isomers were not influenced by the substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00389-1
• 作为产物：
  描述：

  3-甲基噻吩 在 正丁基锂 作用下， 以 乙醚 、 正己烷 为溶剂， 生成 1,2-bis[3-methyl-5-(p-methoxyphenyl)-2-thienyl]perfluorocyclopentene
  参考文献：
  名称：

  Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes

  摘要：

  Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes was examined. introduction of phenyl groups having electron-donating substituents on the para-position of the phenyl ring to the 5-position of the thiophene rings shifted the absorption bands of the open-ring isomers to longer wavelengths and reduced the quantum yield of the cyclization reactions. The substitution with p-(N,N-diethylamino)phenyl groups prohibited the cyclization reaction. The absorption spectra of the closed-ring isomers were not influenced by the substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00389-1

文献信息

• Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes
  作者：Kingo Uchida、Toyokazu Matsuoka、Seiya Kobatake、Tadatsugu Yamaguchi、Masahiro Irie

  DOI：10.1016/s0040-4020(01)00389-1

  日期：2001.5

  Substituent effect on the photochromic reactivity of bis(2-thienyl)perfluorocyclopentenes was examined. introduction of phenyl groups having electron-donating substituents on the para-position of the phenyl ring to the 5-position of the thiophene rings shifted the absorption bands of the open-ring isomers to longer wavelengths and reduced the quantum yield of the cyclization reactions. The substitution with p-(N,N-diethylamino)phenyl groups prohibited the cyclization reaction. The absorption spectra of the closed-ring isomers were not influenced by the substitution. (C) 2001 Elsevier Science Ltd. All rights reserved.