2-((4-nitrophenyl)(5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl)methyl)-1H-pyrrole | 949587-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-((4-nitrophenyl)(5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl)methyl)-1H-pyrrole
• 英文别名: 2-[(4-nitrophenyl)-[5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl]methyl]-1H-pyrrole
• CAS: 949587-04-6
• 化学式: C₂₄H₂₀N₂O₄S
• 分子量: 432.5
• InChiKey: KVSKSWNZCGIAIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-((4-nitrophenyl)(5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl)methyl)-1H-pyrrole 在 四溴化碳 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 以76.1%的产率得到(5-((4-nitrophenyl)(1H-pyrrol-2-yl)methyl)thiophen-2-yl)(phenyl)methanone
  参考文献：
  名称：

  Synthesis and crystal structure of 21,23-dithiaporphyrins and their nonlinear optical activities

  摘要：

  A series of novel 21,23-dithiaporphyrins have been synthesized and determination of their optical nonlinearities demonstrated that they have much larger nonlinear refractive cross section than normal porphyrins and exhibit reverse saturable absorption. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.002
• 作为产物：
  描述：

  2-phenyl-2-(thiophen-2-yl)-1,3-dioxolane 在 正丁基锂 、 magnesium bromide 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 4.5h， 生成 2-((4-nitrophenyl)(5-(2-phenyl-1,3-dioxolan-2-yl)thiophen-2-yl)methyl)-1H-pyrrole
  参考文献：
  名称：

  Synthesis and crystal structure of 21,23-dithiaporphyrins and their nonlinear optical activities

  摘要：

  A series of novel 21,23-dithiaporphyrins have been synthesized and determination of their optical nonlinearities demonstrated that they have much larger nonlinear refractive cross section than normal porphyrins and exhibit reverse saturable absorption. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.002

文献信息

• Synthesis and crystal structure of 21,23-dithiaporphyrins and their nonlinear optical activities
  作者：Yan Zhu、Yi-Zhou Zhu、Hai-Bin Song、Jian-Yu Zheng、Zhi-Bo Liu、Jian-Guo Tian

  DOI：10.1016/j.tetlet.2007.06.002

  日期：2007.8

  A series of novel 21,23-dithiaporphyrins have been synthesized and determination of their optical nonlinearities demonstrated that they have much larger nonlinear refractive cross section than normal porphyrins and exhibit reverse saturable absorption. (c) 2007 Elsevier Ltd. All rights reserved.