4-propylphthalazin-1(2H)-one | 91350-27-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-propylphthalazin-1(2H)-one
• 英文别名: 4-propyl-2H-phthalazin-1-one；4-Propyl-2H-phthalazin-1-on；4-propyl-2H-phthalazin-1-one
• CAS: 91350-27-5
• 化学式: C₁₁H₁₂N₂O
• 分子量: 188.229
• InChiKey: LNNYOFVCJNEPOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-propylphthalazin-1(2H)-one 、 三氯氧磷 生成 1-chloro-4-propyl-phthalazine
  参考文献：
  名称：

  Bromberg, Chemische Berichte, 1896, vol. 29, p. 1436

  摘要：

  DOI：
• 作为产物：
  描述：

  丁苯酞杂质 在 乙醇 、 一水合肼 作用下， 生成 4-propylphthalazin-1(2H)-one
  参考文献：
  名称：

  Noguchi; Kawanami, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1937, vol. 57, p. 783,788; dtsch. Ref. S. 196, 199

  摘要：

  DOI：

文献信息

• Palladium-Catalyzed Acylation Reactions: A One-Pot Diversified Synthesis of Phthalazines, Phthalazinones and Benzoxazinones
  作者：Basuli Suchand、Gedu Satyanarayana

  DOI：10.1002/ejoc.201800159

  日期：2018.5.24

  proceeds through [Pd]‐catalyzed acylation and nucleophilic cyclocondensation with dinucleophilic reagents. This process was based on direct coupling with simple bench‐top aldehydes without the assistance of directing group and without activating the carbonyl group. The process is highly advantageous because it employs simple nitrogen‐based nucleophiles, and non‐toxic and readily accessible aldehydes as the

  提出了一种用于酞嗪、酞嗪酮和苯并恶嗪酮多样化合成的连续单锅策略。该策略通过 [Pd] 催化的酰化和与双亲核试剂的亲核环缩合反应进行。该过程基于与简单的台式醛直接偶联，没有导向基团的帮助，也没有活化羰基。该方法非常有利，因为它使用简单的氮基亲核试剂和无毒且易于获得的醛作为羰基来源。最重要的是，该策略被应用于 PDE-4 抑制剂的一锅合成。
• Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10640493B2

  公开（公告）日：2020-05-05

  This invention provides, among other things, compounds useful for treating diseases such as cancer, pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.

  除其他外，本发明还提供了用于治疗癌症等疾病的化合物、含有此类化合物的药物制剂，以及这些化合物与至少一种额外治疗剂的组合。
• Yasue et al., Nagoya-shiritsu Daigaku Yakugakubu Kiyo, 1954, vol. 2, p. 53
  作者：Yasue et al.

  DOI：——

  日期：——
• Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20190352283A1

  公开（公告）日：2019-11-21

  This invention provides, among other things, compounds useful for treating diseases such as cancer, pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.