4-(2-(tert-butyl)-3-oxo-2,3-dihydroisoquinolin-4-yl)-8-chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione | 1426688-04-1

• 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: 4-(2-(tert-butyl)-3-oxo-2,3-dihydroisoquinolin-4-yl)-8-chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
• 英文别名: 4-(2-Tert-butyl-3-oxoisoquinolin-4-yl)-8-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione；4-(2-tert-butyl-3-oxoisoquinolin-4-yl)-8-chloro-1,3-dihydro-1,4-benzodiazepine-2,5-dione
• CAS: 1426688-04-1
• 化学式: C₂₂H₂₀ClN₃O₃
• 分子量: 409.872
• InChiKey: DZQOTIJGLQTEGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  异氰酸叔丁酯 、 4-氯-2-硝基苯甲酸 、 甘氨酸甲酯盐酸盐 、 2-(1,3-dioxolan-2-yl)benzaldehyde 在 sodium carbonate 、 高氯酸 、 溶剂黄146 、 锌 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 28.0h， 以80%的产率得到4-(2-(tert-butyl)-3-oxo-2,3-dihydroisoquinolin-4-yl)-8-chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
  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.