1-allyl-5,6-methylenedioxyindole-3-carbaldehyde | 1185057-16-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-allyl-5,6-methylenedioxyindole-3-carbaldehyde
• 英文别名: 5-Prop-2-enyl-[1,3]dioxolo[4,5-f]indole-7-carbaldehyde
• CAS: 1185057-16-2
• 化学式: C₁₃H₁₁NO₃
• 分子量: 229.235
• InChiKey: HDOMYNSTZIPNQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  40.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-allyl-5,6-methylenedioxyindole-3-carbaldehyde 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 1-allyl-3-hydroxymethyl-5,6-methylenedioxyindole
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092
• 作为产物：
  描述：

  5,6-亚甲基二氧基吲哚 在 potassium hydroxide 、 三氯氧磷 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 1-allyl-5,6-methylenedioxyindole-3-carbaldehyde
  参考文献：
  名称：

  Synthesis of indolocyclotriveratrylenes

  摘要：

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.092

文献信息

• Synthesis of indolocyclotriveratrylenes
  作者：Mardi Santoso、Kittiya Somphol、Naresh Kumar、David StC. Black

  DOI：10.1016/j.tet.2009.05.092

  日期：2009.8

  Indolocyclotriveratrylenes linked through C2 and C3 can be prepared by acid-catalysed reactions of indole-2- or -3-methanols. The initial example, compound 1 has been confirmed, and an X-ray crystal structure is reported. Seven new examples of indolocyclotriveratrylenes, namely 7, 9, 11, 13,17, 28 and 29 are described. (C) 2009 Elsevier Ltd. All rights reserved.