2-Methyl-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-one
• 化学式: C₂₀H₂₃NO
• 分子量: 293.409
• InChiKey: VZBPDHPIIPSMQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 4-丙酰联苯 、 吡咯烷盐酸盐 在 盐酸 作用下， 以 异丙醇 为溶剂， 以61%的产率得到2-Methyl-1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-one
  参考文献：
  名称：

  Synthesis and activity of 2-methyl-3-aminopropiophenones as centrally acting muscle relaxants

  摘要：

  Some novel 2-methyl-3-aminopropiophenones were synthesized and their centrally acting muscle relaxant activities were evaluated for an inhibitory effect on the flexor reflex in rats. The structure-activity relationships are discussed. In this series, 2-methyl-3-pyrrolidino-1-(4-trifluoromethylphenyl)-propan-1-one (28) showed significant centrally acting muscle relaxant activity. In addition, the activities of each enantiomer (28-(S) and (R)) were studied along with their acute toxicities. Compound 28-(R) was found to exhibit more potent activity and weaker acute toxicity than 28-(S). Accordingly, compound 28-(R) (NK433) is under development as a novel centrally acting muscle relaxant.

  DOI：

  10.1016/0223-5234(96)88213-4

文献信息

• Synthesis and activity of 2-methyl-3-aminopropiophenones as centrally acting muscle relaxants
  作者：A Shiozawa、K Narita、G Izumi、S Kurashige、K Sakitama、M Ishikawa

  DOI：10.1016/0223-5234(96)88213-4

  日期：1995.1

  Some novel 2-methyl-3-aminopropiophenones were synthesized and their centrally acting muscle relaxant activities were evaluated for an inhibitory effect on the flexor reflex in rats. The structure-activity relationships are discussed. In this series, 2-methyl-3-pyrrolidino-1-(4-trifluoromethylphenyl)-propan-1-one (28) showed significant centrally acting muscle relaxant activity. In addition, the activities of each enantiomer (28-(S) and (R)) were studied along with their acute toxicities. Compound 28-(R) was found to exhibit more potent activity and weaker acute toxicity than 28-(S). Accordingly, compound 28-(R) (NK433) is under development as a novel centrally acting muscle relaxant.