[1,3]dioxolo[4,5-g]isoquinolin-5-yl(3,4-dimethoxyphenyl)methanone | 20359-02-8

• 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: [1,3]dioxolo[4,5-g]isoquinolin-5-yl(3,4-dimethoxyphenyl)methanone
• 英文别名: (3,4-dimethoxy-phenyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-yl-methanone；(3,4-dimethoxy-phenyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-yl ketone；(3,4-Dimethoxy-phenyl)-[1,3]dioxolo[4,5-g]isochinolin-5-yl-keton；(3,4-Dimethoxyphenyl)-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
• CAS: 20359-02-8
• 化学式: C₁₉H₁₅NO₅
• 分子量: 337.332
• InChiKey: JBUVERCOFUMUHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [1,3]dioxolo[4,5-g]isoquinolin-5-yl(3,4-dimethoxyphenyl)methanone 在 溶剂黄146 、 铂 作用下， 生成 (3,4-dimethoxy-phenyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-yl-methanol
  参考文献：
  名称：

  PICTET AND GAMS' BERBERINE SYNTHESIS

  摘要：

  DOI：

  10.1021/ja01365a034
• 作为产物：
  描述：

  Methanone,(7,8-dihydro-1,3-dioxolo[4,5-g]isoquinolin-5-yl)(3,4-dimethoxyphenyl)- 在 氢氧化钾 作用下， 生成 [1,3]dioxolo[4,5-g]isoquinolin-5-yl(3,4-dimethoxyphenyl)methanone
  参考文献：
  名称：

  Buck; Haworth; Perkin, Journal of the Chemical Society, 1924, vol. 125, p. 2182

  摘要：

  DOI：

文献信息

• Transition metal-free Minisci reaction promoted by NCS, and TBHP: acylation of heteroarenes
  作者：Yogesh Siddaraju、Kandikere Ramaiah Prabhu

  DOI：10.1016/j.tet.2015.12.065

  日期：2016.2

  A method for acylation for heteroarenes under metal-free conditions has been described using NCS as an additive and TBHP as an oxidant. This method has been successfully employed in acylation of a variety of aldehyde with heteroarenes. The application of the method has been illustrated in synthesizing isoquinoline derived natural products. This strategy provides an efficient, mild and inexpensive method for acylation of heteroarenes. (C) 2015 Elsevier Ltd. All rights reserved.
• Synthesis and Pharmacology of Some α-Keto, α-Hydroxy, α-Amino-1-benzylisoquinolines
  作者：Jerry Weisbach、Joel Kirkpatrick、Edward Macko、Bryce Douglas

  DOI：10.1021/jm00310a606

  日期：1968.7