N-(2-(tert-butyl)-6,7-dimethoxy-3-oxo-2,3-dihydroisoquinolin-4-yl)-4-chloro-N-(prop-2-ynyl)benzamide | 1426687-80-0

• 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: N-(2-(tert-butyl)-6,7-dimethoxy-3-oxo-2,3-dihydroisoquinolin-4-yl)-4-chloro-N-(prop-2-ynyl)benzamide
• 英文别名: N-(2-tert-butyl-6,7-dimethoxy-3-oxoisoquinolin-4-yl)-4-chloro-N-prop-2-ynylbenzamide
• CAS: 1426687-80-0
• 化学式: C₂₅H₂₅ClN₂O₄
• 分子量: 452.938
• InChiKey: UYJOSOUGELYXRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(2-bromo-4,5-dimethoxyphenyl)-1,3-dioxolane 在 正丁基锂 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 20.0h， 生成 N-(2-(tert-butyl)-6,7-dimethoxy-3-oxo-2,3-dihydroisoquinolin-4-yl)-4-chloro-N-(prop-2-ynyl)benzamide
  参考文献：
  名称：

  One-Pot Syntheses of Isoquinolin-3-ones and Benzo-1,4-diazepin-2,5-diones Utilizing Ugi-4CR Post-Transformation Strategy

  摘要：

  One-pot and efficient syntheses of structurally diverse isoquinolin-3-ones and isoquinolin-3-one-based benzo-1,4-diazepin-2,5-diones have been developed. The notable features of the process include the Ugi condensation of monomasked phthalaldehydes with amines, carboxylic acids, and isonitriles, followed by HClO4-mediated intramolecular condensation of the carbonyl with amide.

  DOI：

  10.1021/co400001h

文献信息

• One-Pot Syntheses of Isoquinolin-3-ones and Benzo-1,4-diazepin-2,5-diones Utilizing Ugi-4CR Post-Transformation Strategy
  作者：Chao Che、Song Li、Zhixiong Yu、Fangfang Li、Shengchang Xin、Liyan Zhou、Shuo Lin、Zhen Yang

  DOI：10.1021/co400001h

  日期：2013.4.8

  One-pot and efficient syntheses of structurally diverse isoquinolin-3-ones and isoquinolin-3-one-based benzo-1,4-diazepin-2,5-diones have been developed. The notable features of the process include the Ugi condensation of monomasked phthalaldehydes with amines, carboxylic acids, and isonitriles, followed by HClO4-mediated intramolecular condensation of the carbonyl with amide.