3-(2,3-dihydro-5-(2-methoxynaphthalen-6-yl)thieno[3,4-b][1,4]dioxin-7-yl)-2-(thiophen-2-yl)acrylonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2,3-dihydro-5-(2-methoxynaphthalen-6-yl)thieno[3,4-b][1,4]dioxin-7-yl)-2-(thiophen-2-yl)acrylonitrile
• 英文别名: (E)-3-[5-(6-methoxynaphthalen-2-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]-2-thiophen-2-ylprop-2-enenitrile
• 化学式: C₂₄H₁₇NO₃S₂
• 分子量: 431.536
• InChiKey: OFDJSAXVCJEKKC-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-溴-6-甲氧基萘 在 四(三苯基膦)钯 、 potassium tert-butylate 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 3-(2,3-dihydro-5-(2-methoxynaphthalen-6-yl)thieno[3,4-b][1,4]dioxin-7-yl)-2-(thiophen-2-yl)acrylonitrile
  参考文献：
  名称：

  Synthesis of mono- and bis-arylated 3,4-(ethylenedioxythiophenes) via direct palladium catalyzed arylation reactions

  摘要：

  The synthesis of arylated/heteroarylated 3,4-ethylenedioxythiophene derivatives is reported using a straightforward palladium mediated Heck coupling of 3,4-ethylenedioxythiophene with various aryl/heteroaryl halides. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.11.138

文献信息

• Synthesis of mono- and bis-arylated 3,4-(ethylenedioxythiophenes) via direct palladium catalyzed arylation reactions
  作者：Arasambattu K. Mohanakrishnan、P. Amaladass、J. Arul Clement

  DOI：10.1016/j.tetlet.2006.11.138

  日期：2007.1

  The synthesis of arylated/heteroarylated 3,4-ethylenedioxythiophene derivatives is reported using a straightforward palladium mediated Heck coupling of 3,4-ethylenedioxythiophene with various aryl/heteroaryl halides. (c) 2006 Elsevier Ltd. All rights reserved.
• Pd-mediated C–H arylation of EDOT and synthesis of push–pull systems incorporating EDOT
  作者：P. Amaladass、J. Arul Clement、Arasambattu K. Mohanakrishnan

  DOI：10.1016/j.tet.2007.07.037

  日期：2007.10

  The direct C-H arylation of 3,4-ethylenedioxythiophene (EDOT) is described under Heck-type experimental conditions. This methodology has been used to synthesize a series of push-pull systems containing EDOT units. (C) 2007 Elsevier Ltd. All rights reserved.