10-Methoxy-anthracen-9-yl-acetonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 10-Methoxy-anthracen-9-yl-acetonitrile
• 英文别名: Liawuqhnqialml-uhfffaoysa-；2-(10-methoxyanthracen-9-yl)acetonitrile
• 化学式: C₁₇H₁₃NO
• 分子量: 247.296
• InChiKey: LIAWUQHNQIALML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(10-Methoxy-10H-anthracen-9-ylidene)-malonodinitrile 在 甲酸 、 三乙胺 作用下， 以94%的产率得到10-Methoxy-anthracen-9-yl-acetonitrile
  参考文献：
  名称：

  Concerning the reaction of 2-(10-diazo-10H-anthracen-9-ylidene)-malonodinitrile and related compounds with the cryptohydride system formic acid-triethylamine

  摘要：

  The reaction of 2-(10-diazo-10H-anthracen-9-ylidene)-malonodinitrile (1) with the cryptohydride system formic acid - triethylamine was studied. The reaction product turned out to be anthracen-9-yl-acetonitrile (2a) instead of the expected 10-dicyanomethyl-9,10-dihydro-anthracene-9-yl formate. Compounds related to 1 yielded in this reaction the corresponding 10-substituted anthracen-9-yl-acetonitriles. A mechanism of this reaction is proposed. The product of the formic acid promoted decomposition of 1, compound 3b, as well as its tautomer 4b were also obtained.

  DOI：

  10.1007/bf00807170

表征谱图