4-chloro-11H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinolin-11-one | 1262629-31-1

• 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-chloro-11H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinolin-11-one
• 英文别名: 16-chloro-13-thia-10,17-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,11,14,16-heptaen-9-one
• CAS: 1262629-31-1
• 化学式: C₁₄H₇ClN₂OS
• 分子量: 286.741
• InChiKey: JFFHCURTIZJMEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-chloro-11H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinolin-11-one 在 sodium methylate 作用下， 生成 4-methylthio-11H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinolin-11-one
  参考文献：
  名称：

  Condensed isoquinolines. 35*. Synthesis and reactions of 4h-thieno[3′,4′:5,6]pyrimido-[1,2-b]isoquinoline-4,11(5H)-dione

  摘要：

  Derivatives of the previously unknown tetracyclic system 4H-thieno[3',4':5,6] pyrimido[1,2-b]isoquinoline- 4,11(5H)-dione have been synthesized. A comparison of the spectral characteristics and the biological activities of these compounds has been carried out, and also of their positional isomers and benzene isosteres. The differences, associated with the position of the sulfur atom, are most reflected in their electronic spectra.

  DOI：

  10.1007/s10593-010-0608-9
• 作为产物：
  描述：

  4H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinoline-4,11(5H)-dione 在 吡啶 、 三氯氧磷 作用下， 以95%的产率得到4-chloro-11H-thieno[3',4':5,6]pyrimido[1,2-b]isoquinolin-11-one
  参考文献：
  名称：

  Condensed isoquinolines. 35*. Synthesis and reactions of 4h-thieno[3′,4′:5,6]pyrimido-[1,2-b]isoquinoline-4,11(5H)-dione

  摘要：

  Derivatives of the previously unknown tetracyclic system 4H-thieno[3',4':5,6] pyrimido[1,2-b]isoquinoline- 4,11(5H)-dione have been synthesized. A comparison of the spectral characteristics and the biological activities of these compounds has been carried out, and also of their positional isomers and benzene isosteres. The differences, associated with the position of the sulfur atom, are most reflected in their electronic spectra.

  DOI：

  10.1007/s10593-010-0608-9

文献信息

• Condensed isoquinolines. 35*. Synthesis and reactions of 4h-thieno[3′,4′:5,6]pyrimido-[1,2-b]isoquinoline-4,11(5H)-dione
  作者：A. V. Zadorozhny、V. A. Kovtunenko、A. V. Turov

  DOI：10.1007/s10593-010-0608-9

  日期：2010.12

  Derivatives of the previously unknown tetracyclic system 4H-thieno[3',4':5,6] pyrimido[1,2-b]isoquinoline- 4,11(5H)-dione have been synthesized. A comparison of the spectral characteristics and the biological activities of these compounds has been carried out, and also of their positional isomers and benzene isosteres. The differences, associated with the position of the sulfur atom, are most reflected in their electronic spectra.