1,3,3-trimethyl-2-[2-(5-dimethylaminothiophen-2-yl)vinyl]-3H-indolium perchlorate | 112096-42-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1,3,3-trimethyl-2-[2-(5-dimethylaminothiophen-2-yl)vinyl]-3H-indolium perchlorate
• 英文别名: dimethyl-[(5E)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]thiophen-2-ylidene]azanium;perchlorate
• CAS: 112096-42-1；1428875-16-4
• 化学式: C₁₉H₂₃N₂S*ClO₄
• 分子量: 410.922
• InChiKey: ZXMNGQDFKNGJND-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.22
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  98.49
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  1,2,3,3-tetramethyl-3H-indolium perchlorate 、 5-(二甲氨基)-2-噻吩甲醛 以 乙酸酐 为溶剂， 反应 0.05h， 以67%的产率得到1,3,3-trimethyl-2-[2-(5-dimethylaminothiophen-2-yl)vinyl]-3H-indolium perchlorate
  参考文献：
  名称：

  Cationic 3H-indolium dyes by ring-opening of benzo[1,3]oxazine

  摘要：

  The reaction of 2-methylbenzo[1,3]oxazine with (hetero)aromatic aldehydes under acid catalysis afforded directly polymethine dyes, formed by a thermal ring-opening of the oxazine cycle followed by condensation with the aldehydes. These dyes have the structure of a cationic thermally stable coloured open form of a photochromic benzo[1,3]oxazine and do not undergo ring-closure to afford the closed form again, even under basic treatment. All of the dyes showed reversible acidochromic properties. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.02.001