1-(2-methylnaphthyl)-2-[2-methyl-5-(3-trifluoromethylphenyl)-3-thienyl]perfluorocyclopentene | 1309657-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(2-methylnaphthyl)-2-[2-methyl-5-(3-trifluoromethylphenyl)-3-thienyl]perfluorocyclopentene
• 英文别名: 2-Methyl-3-[2-(2-methyl-1-naphthyl)-3,3,4,4,5,5-hexafluoro-1-cyclopentenyl]-5-[3-(trifluoromethyl)phenyl]thiophene；3-[3,3,4,4,5,5-hexafluoro-2-(2-methylnaphthalen-1-yl)cyclopenten-1-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]thiophene
• CAS: 1309657-45-1
• 化学式: C₂₈H₁₇F₉S
• 分子量: 556.495
• InChiKey: NCYOXNMNZQLNHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1-(2-methylnaphthyl)-2-[2-methyl-5-(3-trifluoromethylphenyl)-3-thienyl]perfluorocyclopentene 以 正己烷 为溶剂， 以64%的产率得到5-[3-(Trifluoromethyl)phenyl]-1,1,2,2,3,3-hexafluoro-6a,6b-dimethyl-1,2,6a,6b-tetrahydro-3H-6-thiadicyclopenta[a,c]phenanthrene
  参考文献：
  名称：

  New photochromic diarylethenes bearing a condensed aromatics moiety

  摘要：

  A new class of diarylethenes based on a hybrid structure of naphthalene and thiophene have been developed and their properties including photochromism, fatigue resistance, and fluorescence have been investigated. The condensed aromatic naphthalene was connected directly to the central cyclopentene ring as an aryl moiety and available to participate in the photoinduced cyclization reaction. All of these compounds have exhibited good photochromism, notable fatigue resistance, and obvious fluorescence photo-switches in both solution and polymer matrix. Nevertheless, significantly different properties have been observed among these diarylethenes, which may be attributed to the effect of different substituent groups. Compared with the analogs bearing other six-membered aryl unit, the naphthalene moiety is more conducive, which leads to higher molar absorption coefficient and blue shift of the absorption maximum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.04.063
• 作为产物：
  描述：

  全氟环戊烯 在 正丁基锂 作用下， 生成 1-(2-methylnaphthyl)-2-[2-methyl-5-(3-trifluoromethylphenyl)-3-thienyl]perfluorocyclopentene
  参考文献：
  名称：

  New photochromic diarylethenes bearing a condensed aromatics moiety

  摘要：

  A new class of diarylethenes based on a hybrid structure of naphthalene and thiophene have been developed and their properties including photochromism, fatigue resistance, and fluorescence have been investigated. The condensed aromatic naphthalene was connected directly to the central cyclopentene ring as an aryl moiety and available to participate in the photoinduced cyclization reaction. All of these compounds have exhibited good photochromism, notable fatigue resistance, and obvious fluorescence photo-switches in both solution and polymer matrix. Nevertheless, significantly different properties have been observed among these diarylethenes, which may be attributed to the effect of different substituent groups. Compared with the analogs bearing other six-membered aryl unit, the naphthalene moiety is more conducive, which leads to higher molar absorption coefficient and blue shift of the absorption maximum. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.04.063