2-(2',5'-dimethylphenyl)indazol-3-one | 115819-37-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(2',5'-dimethylphenyl)indazol-3-one
• 英文别名: 2-(2,5-dimethylphenyl)-1H-indazol-3-one
• CAS: 115819-37-9
• 化学式: C₁₅H₁₄N₂O
• 分子量: 238.289
• InChiKey: WBELOCIENAAVCE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2',5'-dimethylphenyl)indazol-3-one 在 sodium ethanolate 作用下， 生成 7,10-dimethyl-benzimidazo<2,1-b>quinazolin-12(5H)-one
  参考文献：
  名称：

  The thermal rearrangement of 2-aryl-1-cyanoindazol-3-ones

  摘要：

  DOI：

  10.1016/s0040-4020(01)86904-0
• 作为产物：
  描述：

  2,5-二甲基苯胺 在 base 作用下， 生成 2-(2',5'-dimethylphenyl)indazol-3-one
  参考文献：
  名称：

  The thermal rearrangement of 2-aryl-1-cyanoindazol-3-ones

  摘要：

  DOI：

  10.1016/s0040-4020(01)86904-0

文献信息

• BIRD, C. W.;KAPILI, M., TETRAHEDRON, 43,(1987) N 20, 4621-4624
  作者：BIRD, C. W.、KAPILI, M.

  DOI：——

  日期：——
• BENZOISOTHIAZOLONES AS INHIBITORS OF PHOSPHOMANNOSE ISOMERASE
  申请人：Cosford Nicholas D. P.

  公开号：US20110257233A1

  公开（公告）日：2011-10-20

  The disclosure provides new compounds and compositions thereof, and methods for treating or ameliorating a disorder relating to CDG-Ia. In particular, the disclosure provides benzoisothiazolone inhibitors of PMI, which have been synthesized and their ability to drive glycosylation has been demonstrated. The disclosure provides two synthetic routes for these compounds, including a new copper-catalyzed N-arylation reaction amenable to parallel derivitization. The disclosed compounds represent potent inhibitors of PMI, and their dose-dependent efficacy in cell-based models of glycosylation have been demonstrated. In addition, the disclosed compounds are selective over PMM and therefore, are useful in treating or ameliorating a disorder relating to CDG-Ia.
• The thermal rearrangement of 2-aryl-1-cyanoindazol-3-ones
  作者：C.W. Bird、M. Kapili

  DOI：10.1016/s0040-4020(01)86904-0

  日期：1987.1