6-(benzo[d]oxazol-2-yl)-2-methylpyridazin-3(2H)-one | 1366397-64-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 6-(benzo[d]oxazol-2-yl)-2-methylpyridazin-3(2H)-one
• 英文别名: 6-(1,3-Benzoxazol-2-yl)-2-methylpyridazin-3-one；6-(1,3-benzoxazol-2-yl)-2-methylpyridazin-3-one
• CAS: 1366397-64-9
• 化学式: C₁₂H₉N₃O₂
• 分子量: 227.222
• InChiKey: NWKIYIILAUQSJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  苯并恶唑 、 1-甲基-3,6-(1H,2H)哌嗪二酮 在 三乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 copper(l) iodide 、 palladium diacetate 、 potassium carbonate 、 三苯基膦 作用下， 以 1,4-二氧六环 、 2,4-滴二甲胺盐 为溶剂， 反应 1.17h， 以70%的产率得到6-(benzo[d]oxazol-2-yl)-2-methylpyridazin-3(2H)-one
  参考文献：
  名称：

  Direct Heteroarylation of Tautomerizable Heterocycles into Unsymmetrical and Symmetrical Biheterocycles via Pd/Cu-Catalyzed Phosphonium Coupling

  摘要：

  The direct cross-coupling of tautomerizable heterocycles with various unfunctionalized heteroarenes has been achieved through PyBroP-mediated and Pd/Cu-catalyzed sequential C-OH/C-H activation. The methodology allows a facile entry into novel diazine-azole biheterocyclic frameworks. Moreover, an unprecedented Pd-catalyzed phosphonium homocoupling of tautomerizable heterocycles was also developed to afford a direct synthetic route to symmetrical 1,2-, 1,3-, and 1,4-bidiazine units.

  DOI：

  10.1021/ol300455e

文献信息

• COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF
  申请人：CHDI Foundation, Inc.

  公开号：US20220409600A1

  公开（公告）日：2022-12-29

  The present disclosure relates generally to compounds that simultaneously bind both mutant huntingtin protein (mHTT) and an ubiquitin E3 ligase and their use as therapeutic agents, for example, in treating diseases, such as neurodegenerative disorders caused by aggregation of mHTT.