4-(5-Hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzonitrile | 1280704-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: 4-(5-Hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzonitrile
• 英文别名: 4-(5-hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzonitrile
• CAS: 1280704-12-2
• 化学式: C₁₅H₁₁NO₂
• 分子量: 237.258
• InChiKey: HYBKHKZFEYYWSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  53.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-羟基苯甲醇 、 4-氰基苯甲醛 在 nanosilica supported sulfuric acid 作用下， 以 乙醇 为溶剂， 反应 0.03h， 以80%的产率得到4-(5-Hydroxy-1,3-dihydro-2-benzofuran-1-yl)benzonitrile
  参考文献：
  名称：

  A simple and efficient large-scale synthesis of 3-hydroxyphthalans via oxa-Pictet–Spengler reaction catalyzed by nanosilica sulfuric acid

  摘要：

  Nanosilica sulfuric acid is found to be a new, powerful and reusable heterogeneous catalyst for the rapid synthesis of 3-hydroxyphthalans via condensation of aromatic aldehydes and 3-hydroxybenzyl alcohols under conventional heating and microwave irradiation. Scale-up preparation of these heterocycles is also carried out. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2011.01.037

文献信息

• A simple and efficient large-scale synthesis of 3-hydroxyphthalans via oxa-Pictet–Spengler reaction catalyzed by nanosilica sulfuric acid
  作者：Zahra Khorsandi、Ahmad Reza Khosropour、Valiollah Mirkhani、Iraj Mohammadpoor-Baltork、Majid Moghadam、Shahram Tangestaninejad

  DOI：10.1016/j.tetlet.2011.01.037

  日期：2011.3

  Nanosilica sulfuric acid is found to be a new, powerful and reusable heterogeneous catalyst for the rapid synthesis of 3-hydroxyphthalans via condensation of aromatic aldehydes and 3-hydroxybenzyl alcohols under conventional heating and microwave irradiation. Scale-up preparation of these heterocycles is also carried out. (C) 2011 Published by Elsevier Ltd.