(6Z)-4,4-difluoro-12,14-dipyrrolidin-1-yl-6-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-3,5,9-trioxa-4-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),10,12-tetraen-8-one | 1146616-92-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (6Z)-4,4-difluoro-12,14-dipyrrolidin-1-yl-6-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-3,5,9-trioxa-4-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),10,12-tetraen-8-one
• CAS: 1146616-92-3
• 化学式: C₃₂H₃₄BF₂N₃O₄
• 分子量: 573.447
• InChiKey: PZGQQTICQISXFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.38
• 重原子数：
  42
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (6Z)-4,4-difluoro-12,14-dipyrrolidin-1-yl-6-[(E)-3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]-3,5,9-trioxa-4-boranuidatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),10,12-tetraen-8-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  The structural criteria of hydrolytic stability in series of dioxaborine polymethine dyes

  摘要：

  The structural criteria that affect stability to the alkaline hydrolysis of dioxaborine dyes were analyzed Dyes with different electron-donor and electron-withdrawing groups conjugated with dioxaborine cycle and also having some stem effects were analyzed For this purpose some new dioxaborine dyes were synthesized It was shown that electron-donor substituents unlike electron-withdrawing ones increase the hydrolytic stability of the dioxaborine dyes The possible way of the basic hydrolysis of dioxaborine dyes was suggested The products of the partial hydrolysis of the symmetrical dioxaborine dyes were first obtained (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.dyepig.2010.09.007