3-tert-butyl-1-hydroxybenz[g]isoquinoline-5,10-dione | 1123301-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 3-tert-butyl-1-hydroxybenz[g]isoquinoline-5,10-dione
• 英文别名: 3-tert-butyl-2H-benzo[g]isoquinoline-1,5,10-trione
• CAS: 1123301-96-1
• 化学式: C₁₇H₁₅NO₃
• 分子量: 281.311
• InChiKey: XNBDDPQAGCZWSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  63.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-methoxycarbonyl-1,4-naphthoquinone 、 alkaline earth salt of/the/ methylsulfuric acid 在 air 、 ammonium acetate 、 溶剂黄146 作用下， 142.0 ℃ 、1.9 MPa 条件下， 反应 0.17h， 以51%的产率得到3-tert-butyl-1-hydroxybenz[g]isoquinoline-5,10-dione
  参考文献：
  名称：

  New and highly efficient synthesis of 3-substituted 1-hydroxybenz[g]isoquinoline-5,10-diones

  摘要：

  A new and efficient strategy for the synthesis of 3-substituted 1-hydroxybenz[g]isoquinoline-5,10-diones by reaction of 2-methoxycarbonyl-1,4-naphthoquinone with different pyridinium salts under Krohnke conditions is disclosed, This one-step reaction Was found to be dependent on the substitution pattern of the aromatic nucleus in the pyridinium salts. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.11.070

文献信息

• New and highly efficient synthesis of 3-substituted 1-hydroxybenz[g]isoquinoline-5,10-diones
  作者：Jan Jacobs、Sven Claessens、Blaise Mavinga Mbala、Kris Huygen、Norbert De Kimpe

  DOI：10.1016/j.tet.2008.11.070

  日期：2009.2

  A new and efficient strategy for the synthesis of 3-substituted 1-hydroxybenz[g]isoquinoline-5,10-diones by reaction of 2-methoxycarbonyl-1,4-naphthoquinone with different pyridinium salts under Krohnke conditions is disclosed, This one-step reaction Was found to be dependent on the substitution pattern of the aromatic nucleus in the pyridinium salts. (C) 2008 Elsevier Ltd. All rights reserved.