1,4-benzodioxin-6,7-dimethanol | 745795-54-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 英文名称: 1,4-benzodioxin-6,7-dimethanol
• 英文别名: [6-(Hydroxymethyl)-1,4-benzodioxin-7-yl]methanol；[6-(hydroxymethyl)-1,4-benzodioxin-7-yl]methanol
• CAS: 745795-54-4
• 化学式: C₁₀H₁₀O₄
• 分子量: 194.187
• InChiKey: NVZPWESHGFXAKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  58.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,4-benzodioxin-6,7-dimethanol 在 氢氧化钾 、 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 2,3,9,10-bis(ethenedioxy)-6,13-pentacenequinone
  参考文献：
  名称：

  Robust, Soluble Pentacene Ethers

  摘要：

  We report the synthesis and characterization of a series of alkoxy-substituted silylethynylated pentacene derivatives (R = CH2CH2, CHCH, CH2). All three compounds are easily prepared, soluble in common organic solvents, and stable both as solids and in solution. Two of the derivatives possess significant pi-face interactions in the crystal. Values for lambda(max) for these new pentacene derivatives range from 621 to 674 nm, and oxidation potentials lie between 109 and 301 mV versus ferrocene.

  DOI：

  10.1021/ol049593z
• 作为产物：
  描述：

  diethyl 1,4-benzodioxane-6,7-dicarboxylate 在 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 、 偶氮二异丁腈 作用下， 以 四氢呋喃 、 四氯化碳 为溶剂， 反应 124.0h， 生成 1,4-benzodioxin-6,7-dimethanol
  参考文献：
  名称：

  Robust, Soluble Pentacene Ethers

  摘要：

  We report the synthesis and characterization of a series of alkoxy-substituted silylethynylated pentacene derivatives (R = CH2CH2, CHCH, CH2). All three compounds are easily prepared, soluble in common organic solvents, and stable both as solids and in solution. Two of the derivatives possess significant pi-face interactions in the crystal. Values for lambda(max) for these new pentacene derivatives range from 621 to 674 nm, and oxidation potentials lie between 109 and 301 mV versus ferrocene.

  DOI：

  10.1021/ol049593z

文献信息

• Robust, Soluble Pentacene Ethers
  作者：Marcia M. Payne、Jared H. Delcamp、Sean R. Parkin、John E. Anthony

  DOI：10.1021/ol049593z

  日期：2004.5.1

  We report the synthesis and characterization of a series of alkoxy-substituted silylethynylated pentacene derivatives (R = CH2CH2, CHCH, CH2). All three compounds are easily prepared, soluble in common organic solvents, and stable both as solids and in solution. Two of the derivatives possess significant pi-face interactions in the crystal. Values for lambda(max) for these new pentacene derivatives range from 621 to 674 nm, and oxidation potentials lie between 109 and 301 mV versus ferrocene.