hydroxy-quinolin-3-yl-acetic acid ethyl ester | 13669-46-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: hydroxy-quinolin-3-yl-acetic acid ethyl ester
• 英文别名: Chinolyl-(3)-glykolsaeure-ethylester；Chinolyl-(3)-glykolsaeureethylester；Ethyl 2-hydroxy-2-quinolin-3-ylacetate
• CAS: 13669-46-0
• 化学式: C₁₃H₁₃NO₃
• 分子量: 231.251
• InChiKey: DOXLEDDWGDYKOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  hydroxy-quinolin-3-yl-acetic acid ethyl ester 在 sodium hydride 、 肼 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007
• 作为产物：
  描述：

  3-喹啉甲醛 在 盐酸 、 sodium hydrogen sulfate 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 hydroxy-quinolin-3-yl-acetic acid ethyl ester
  参考文献：
  名称：

  Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia

  摘要：

  A series of 2-methoxyacylhydrazones were optimized to yield compounds with high affinity for PDE10A. Several compounds demonstrated efficacy in animal models of schizophrenia, including conditioned avoidance response and a pro-psychotic phencyclidine hyperactivity model. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.007