3-methylpyrazolo<1,5-b>isoquinolin-9(1H)-one

• 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: 3-methylpyrazolo<1,5-b>isoquinolin-9(1H)-one
• 英文别名: 3-methyl-1H-pyrazolo[1,5-b]isoquinolin-9-one
• 化学式: C₁₂H₁₀N₂O
• 分子量: 198.224
• InChiKey: LHQKZRJESIWELY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 盐酸 、 草酰氯 、 hydroxide 、 二甲基亚砜 、 肼 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 3-methylpyrazolo<1,5-b>isoquinolin-9(1H)-one
  参考文献：
  名称：

  Structure revision of the APHEs through synthesis

  摘要：

  An attempt to synthesize APHE-3 (3-methylpyrazolo[1,5-b]isoquinolin-9(1H)-one 3) gave the tautomer 3-methylpyrazolol[1,5-b]isoquinoiin-9(4H)-one (9) instead, and led to a reconsideration of the structures assigned to the APHEs. The structures of the APHEs have now been reformulated as 15-18, known natural products, whose spectra are in close agreement with those reported for the APHEs. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00074-x

文献信息

• Structure revision of the APHEs through synthesis
  作者：T.Ross Kelly、Ying Fu、Roger L. Xie

  DOI：10.1016/s0040-4039(99)00074-x

  日期：1999.3

  An attempt to synthesize APHE-3 (3-methylpyrazolo[1,5-b]isoquinolin-9(1H)-one 3) gave the tautomer 3-methylpyrazolol[1,5-b]isoquinoiin-9(4H)-one (9) instead, and led to a reconsideration of the structures assigned to the APHEs. The structures of the APHEs have now been reformulated as 15-18, known natural products, whose spectra are in close agreement with those reported for the APHEs. (C) 1999 Elsevier Science Ltd. All rights reserved.