[(S)-1-(2,5-Dihydro-pyrrol-1-ylmethyl)-2-methyl-propyl]-methyl-amine | 492450-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: [(S)-1-(2,5-Dihydro-pyrrol-1-ylmethyl)-2-methyl-propyl]-methyl-amine
• 英文别名: (2S)-1-(2,5-dihydropyrrol-1-yl)-N,3-dimethylbutan-2-amine
• CAS: 492450-93-8
• 化学式: C₁₀H₂₀N₂
• 分子量: 168.282
• InChiKey: NLGQHNGUNBSHEH-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [(S)-1-(2,5-Dihydro-pyrrol-1-ylmethyl)-2-methyl-propyl]-methyl-amine 、 2-(4-硝基苯基)乙酰氯 以 二氯甲烷 为溶剂， 生成 N-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methyl-2-(4-nitrophenyl)acetamide
  参考文献：
  名称：

  3-Pyrroline containing arylacetamides

  摘要：

  A series of 2-(substituted phenyl)-N-methyl-N-[(1S)-1-(substituted alkyl)-2-(1-(3-pyrrolinyl))ethyl]acetamides were synthesized and evaluated as highly selective kappa-agonists with K-i values in low nanomolar range. 3-Pyrroline incorporated into the basic amino functionality in combination with 2-(methylthio)ethyl substituent on the carbon adjacent to the amide nitrogen remarkably enhanced the K-selectivity. 3,4-Dichlorophenyl derivative le was found the most potent and selective analgesic in this series with ED50 value of 0.023 mg/kg. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00429-8
• 作为产物：
  描述：

  [(S)-1-(2,5-Dihydro-pyrrole-1-carbonyl)-2-methyl-propyl]-carbamic acid benzyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 [(S)-1-(2,5-Dihydro-pyrrol-1-ylmethyl)-2-methyl-propyl]-methyl-amine
  参考文献：
  名称：

  3-Pyrroline containing arylacetamides

  摘要：

  A series of 2-(substituted phenyl)-N-methyl-N-[(1S)-1-(substituted alkyl)-2-(1-(3-pyrrolinyl))ethyl]acetamides were synthesized and evaluated as highly selective kappa-agonists with K-i values in low nanomolar range. 3-Pyrroline incorporated into the basic amino functionality in combination with 2-(methylthio)ethyl substituent on the carbon adjacent to the amide nitrogen remarkably enhanced the K-selectivity. 3,4-Dichlorophenyl derivative le was found the most potent and selective analgesic in this series with ED50 value of 0.023 mg/kg. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00429-8