4-[2-[5-(Aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid | 1443526-28-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 4-[2-[5-(Aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
• 英文别名: 4-[2-[5-(aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
• CAS: 1443526-28-0
• 化学式: C₁₇H₁₃F₆NO₂S₂
• 分子量: 441.418
• InChiKey: VENXBODHALUBLB-UHFFFAOYSA-N

物化性质

• 沸点：
  499.1±45.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  N-琥珀酰亚胺碳酸叔丁酯 、 4-[2-[5-(Aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid 在 三乙胺 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 10.0h， 以0.13 g的产率得到Fmoc-Daa
  参考文献：
  名称：

  Development of a new class of photochromic peptides by using diarylethene-based non-natural amino acids

  摘要：

  We synthesized novel photochromic non-natural amino acids based on diarylethene skeletons. The non-natural amino acids can be introduced at any positions in various types of peptides by solid/solution phase synthesis. In this study, linear and cyclic peptides including the diarylethene residues were prepared. Their peptides showed photochromism peculiar to original diarylethenes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.044
• 作为产物：
  描述：

  1-(5'-bromo-2'-methylthien-3'-yl)-2-(5'-carboxy-2'-methylthien-3'-yl)perfluorocyclopentene 在 正丁基锂 、 palladium on activated charcoal 、 氨 、 氢气 作用下， 以 甲醇 、 乙醚 、 正己烷 为溶剂， -78.0~20.0 ℃ 、5.07 MPa 条件下， 反应 16.08h， 生成 4-[2-[5-(Aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
  参考文献：
  名称：

  Development of a new class of photochromic peptides by using diarylethene-based non-natural amino acids

  摘要：

  We synthesized novel photochromic non-natural amino acids based on diarylethene skeletons. The non-natural amino acids can be introduced at any positions in various types of peptides by solid/solution phase synthesis. In this study, linear and cyclic peptides including the diarylethene residues were prepared. Their peptides showed photochromism peculiar to original diarylethenes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.05.044