5-(3-methoxyphenyl)-1-methyl-3-methylenepyrrolidin-2-one | 1144106-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 5-(3-methoxyphenyl)-1-methyl-3-methylenepyrrolidin-2-one
• CAS: 1144106-35-3
• 化学式: C₁₃H₁₅NO₂
• 分子量: 217.268
• InChiKey: UQGIDARNRTYHPC-UHFFFAOYSA-N

物化性质

• 沸点：
  381.2±42.0 °C(predicted)
• 密度：
  1.13±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.15
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 5-(3-methoxyphenyl)-1-methyl-3-methylenepyrrolidin-2-one 反应 2.0h， 生成 (3R,5S)-5-(3-methoxyphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one 、
  参考文献：
  名称：

  Gamma-lactams—A novel scaffold for highly potent and selective α7 nicotinic acetylcholine receptor agonists

  摘要：

  A novel class of alpha 7 nicotinic acetylcholine receptor (nAChR) agonists has been discovered through high-throughput screening. The cis gamma-lactam scaffold has been optimized to reveal highly potent and selective alpha 7 nAChR agonists with in vitro activity and selectivity and with good brain penetration in mice. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.073
• 作为产物：
  描述：

  2-(溴甲基)丙烯酸甲酯 、 m-methoxybenzylidenemethylamine 在 锌 作用下， 以 四氢呋喃 为溶剂， 反应 3.83h， 生成 5-(3-methoxyphenyl)-1-methyl-3-methylenepyrrolidin-2-one
  参考文献：
  名称：

  Gamma-lactams—A novel scaffold for highly potent and selective α7 nicotinic acetylcholine receptor agonists

  摘要：

  A novel class of alpha 7 nicotinic acetylcholine receptor (nAChR) agonists has been discovered through high-throughput screening. The cis gamma-lactam scaffold has been optimized to reveal highly potent and selective alpha 7 nAChR agonists with in vitro activity and selectivity and with good brain penetration in mice. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.01.073