2-(2-(2-acetoxy-3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium bromide | 1447811-09-7

• 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: 2-(2-(2-acetoxy-3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium bromide
• CAS: 1447811-09-7
• 化学式: Br*C₃₆H₄₃N₂O₂
• 分子量: 615.654
• InChiKey: SZSHETOIAKONPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.27
• 重原子数：
  41.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  32.55
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(2-(2-acetoxy-3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium bromide 在 肼 作用下， 以 二甲基亚砜 为溶剂， 生成 2,6-bis[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexan-1-one
  参考文献：
  名称：

  A Ratiometric Near-Infrared Fluorescent Probe for Hydrazine and Its in Vivo Applications

  摘要：

  Based on modulation of the conjugated polymethine pi-electron system of a cyanine dye derivative, a ratiometric near-infared fluorescent probe (Cy7A) for hydrazine (N2H4) has been designed and synthesized. Cy7A can be selectively hydrazinolysized with great changes in its fluorescent excitation/emission profiles, which makes it possible to detect N2H4 in water samples and living cells and, for the first time, visualize N2H4 in living mice.

  DOI：

  10.1021/ol401838p
• 作为产物：
  描述：

  乙酰溴 、 2,6-bis[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexan-1-one 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.5h， 以73%的产率得到2-(2-(2-acetoxy-3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-1-ethyl-3,3-dimethyl-3H-indol-1-ium bromide
  参考文献：
  名称：

  A Ratiometric Near-Infrared Fluorescent Probe for Hydrazine and Its in Vivo Applications

  摘要：

  Based on modulation of the conjugated polymethine pi-electron system of a cyanine dye derivative, a ratiometric near-infared fluorescent probe (Cy7A) for hydrazine (N2H4) has been designed and synthesized. Cy7A can be selectively hydrazinolysized with great changes in its fluorescent excitation/emission profiles, which makes it possible to detect N2H4 in water samples and living cells and, for the first time, visualize N2H4 in living mice.

  DOI：

  10.1021/ol401838p