4-(4-Chloro-phenyl)-5-oxo-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile | 311767-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(4-Chloro-phenyl)-5-oxo-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile
• 英文别名: 4-(4-chlorophenyl)-5-oxo-2-sulfanylidene-1H-indeno[1,2-b]pyridine-3-carbonitrile
• CAS: 311767-72-3
• 化学式: C₁₉H₉ClN₂OS
• 分子量: 348.812
• InChiKey: PUYJVIJVSMZMDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-Chloro-phenyl)-5-oxo-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile 在 sodium ethanolate 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 生成 3-amino-4-(p-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)carbonyl-5-oxothieno[2,3-b]indeno[2,1-e]pyridine
  参考文献：
  名称：

  Synthesis and Reaction of Some Indenopyridine and Thieno[2,3-b]Indeno[2,1-e]Pyridine Derivatives

  摘要：

  Synthesis of indenopyridine-2-thione derivatives 6a-e via reaction of compound 1 with thioamides 2a-e in good yields. Several thieno[2,3-b]indeno[2,1-e]pyridine 9a-e have been synthesized. Some of them was used as a key intermediate in synthesis of 10-12. On the other hand, compound 1 reacted with various reagents to yield 16, 19, 21-24.

  DOI：

  10.1080/00397910008086945
• 作为产物：
  描述：

  1,3-茚满二酮 、 (E)-3-(4-chlorophenyl)-2-cyanoprop-2-enethioamide 在 哌啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以85%的产率得到4-(4-Chloro-phenyl)-5-oxo-2-thioxo-2,5-dihydro-1H-indeno[1,2-b]pyridine-3-carbonitrile
  参考文献：
  名称：

  Synthesis and Reaction of Some Indenopyridine and Thieno[2,3-b]Indeno[2,1-e]Pyridine Derivatives

  摘要：

  Synthesis of indenopyridine-2-thione derivatives 6a-e via reaction of compound 1 with thioamides 2a-e in good yields. Several thieno[2,3-b]indeno[2,1-e]pyridine 9a-e have been synthesized. Some of them was used as a key intermediate in synthesis of 10-12. On the other hand, compound 1 reacted with various reagents to yield 16, 19, 21-24.

  DOI：

  10.1080/00397910008086945

文献信息

• Synthesis and Reaction of Some Indenopyridine and Thieno[2,3-b]Indeno[2,1-e]Pyridine Derivatives
  作者：Hassanein

  DOI：10.1080/00397910008086945

  日期：2000.11

  Synthesis of indenopyridine-2-thione derivatives 6a-e via reaction of compound 1 with thioamides 2a-e in good yields. Several thieno[2,3-b]indeno[2,1-e]pyridine 9a-e have been synthesized. Some of them was used as a key intermediate in synthesis of 10-12. On the other hand, compound 1 reacted with various reagents to yield 16, 19, 21-24.