3,3,4,4,5,5,25,25,26,26,27,27-Dodecafluoro-8,22,30,44,45,46,47,48-octamethyl-9,21,31,43-tetrathia-12,15,18,34,37,40-hexazaheptacyclo[40.2.1.17,10.120,23.129,32.02,6.024,28]octatetraconta-1(44),2(6),7,10(48),20(47),22,24(28),29,32(46),42(45)-decaene-11,14,17,33,36,39-hexone | 1443526-25-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,3,4,4,5,5,25,25,26,26,27,27-Dodecafluoro-8,22,30,44,45,46,47,48-octamethyl-9,21,31,43-tetrathia-12,15,18,34,37,40-hexazaheptacyclo[40.2.1.17,10.120,23.129,32.02,6.024,28]octatetraconta-1(44),2(6),7,10(48),20(47),22,24(28),29,32(46),42(45)-decaene-11,14,17,33,36,39-hexone
• 英文别名: 3,3,4,4,5,5,25,25,26,26,27,27-dodecafluoro-8,22,30,44,45,46,47,48-octamethyl-9,21,31,43-tetrathia-12,15,18,34,37,40-hexazaheptacyclo[40.2.1.17,10.120,23.129,32.02,6.024,28]octatetraconta-1(44),2(6),7,10(48),20(47),22,24(28),29,32(46),42(45)-decaene-11,14,17,33,36,39-hexone
• CAS: 1443526-25-7
• 化学式: C₄₆H₄₂F₁₂N₆O₆S₄
• 分子量: 1131.12
• InChiKey: LNSWHVJCXJWPIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  74
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  288
• 氢给体数：
  6
• 氢受体数：
  22

反应信息

• 作为产物：
  描述：

  2,4'-二溴-3',3',4',4',5',5'-六氟-2“,4-二甲基-[1,1':2',1”-三环戊烷]-1,1',1'',4,4''-五烯 在 正丁基锂 、 palladium on activated charcoal 、 氨 、 水 、 氢气 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙二醇二甲醚 、 乙醚 、 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~20.0 ℃ 、5.07 MPa 条件下， 反应 78.1h， 生成 3,3,4,4,5,5,25,25,26,26,27,27-Dodecafluoro-8,22,30,44,45,46,47,48-octamethyl-9,21,31,43-tetrathia-12,15,18,34,37,40-hexazaheptacyclo[40.2.1.17,10.120,23.129,32.02,6.024,28]octatetraconta-1(44),2(6),7,10(48),20(47),22,24(28),29,32(46),42(45)-decaene-11,14,17,33,36,39-hexone
  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

文献信息

• Development of a new class of photochromic peptides by using diarylethene-based non-natural amino acids
  作者：Kazuhisa Fujimoto、Tatsuya Maruyama、Yohei Okada、Tatsuya Itou、Masahiko Inouye

  DOI：10.1016/j.tet.2013.05.044

  日期：2013.7

  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.