10-(methylsulfanyl)-8-oxo-8H-7-oxafluoranthene-9-carbonitrile | 1225222-97-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 10-(methylsulfanyl)-8-oxo-8H-7-oxafluoranthene-9-carbonitrile
• 英文别名: 14-Methylsulfanyl-12-oxo-11-oxatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),13-heptaene-13-carbonitrile
• CAS: 1225222-97-8
• 化学式: C₁₇H₉NO₂S
• 分子量: 291.33
• InChiKey: DDVPNEBZHHXTDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  75.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  10-(methylsulfanyl)-8-oxo-8H-7-oxafluoranthene-9-carbonitrile 、 1-苊酮 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 0.42h， 以54%的产率得到8-(methylsulfanyl)acenaphtho[1,2-j]fluoranthene-7-carbonitrile
  参考文献：
  名称：

  Synthesis, Electrochemical and Optical Properties of Stable Yellow Fluorescent Fluoranthenes

  摘要：

  A novel series of thermally stable yellow light emitting fluoranthenes with an amine donor and a nitrite acceptor was prepared from a ketene-S,S-acetal under mild conditions without using an organometal catalyst. The organic light emitting device of yellow fluoranthene 10b exhibited substantially low turn-on voltage (2.6 V) and maximum brightness of 470 Cd/m(2) with luminance efficiency of 2.0 Cd/A without using any dopant.

  DOI：

  10.1021/jo100420x
• 作为产物：
  描述：

  2-氰-3,3-二(甲硫基)丙烯酸甲酯 、 1-苊酮 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 以70%的产率得到10-(methylsulfanyl)-8-oxo-8H-7-oxafluoranthene-9-carbonitrile
  参考文献：
  名称：

  Synthesis, Electrochemical and Optical Properties of Stable Yellow Fluorescent Fluoranthenes

  摘要：

  A novel series of thermally stable yellow light emitting fluoranthenes with an amine donor and a nitrite acceptor was prepared from a ketene-S,S-acetal under mild conditions without using an organometal catalyst. The organic light emitting device of yellow fluoranthene 10b exhibited substantially low turn-on voltage (2.6 V) and maximum brightness of 470 Cd/m(2) with luminance efficiency of 2.0 Cd/A without using any dopant.

  DOI：

  10.1021/jo100420x

文献信息

• Synthesis, Electrochemical and Optical Properties of Stable Yellow Fluorescent Fluoranthenes
  作者：Atul Goel、Vijay Kumar、Sumit Chaurasia、Madhu Rawat、Ramesh Prasad、R. S. Anand

  DOI：10.1021/jo100420x

  日期：2010.6.4

  A novel series of thermally stable yellow light emitting fluoranthenes with an amine donor and a nitrite acceptor was prepared from a ketene-S,S-acetal under mild conditions without using an organometal catalyst. The organic light emitting device of yellow fluoranthene 10b exhibited substantially low turn-on voltage (2.6 V) and maximum brightness of 470 Cd/m(2) with luminance efficiency of 2.0 Cd/A without using any dopant.