1-(2-bromoethyl)-3-(3-methoxyphenethyl)imidazolidin-2-one | 1207841-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2-bromoethyl)-3-(3-methoxyphenethyl)imidazolidin-2-one
• 英文别名: 1-(2-Bromoethyl)-3-[2-(3-methoxyphenyl)ethyl]imidazolidin-2-one
• CAS: 1207841-23-3
• 化学式: C₁₄H₁₉BrN₂O₂
• 分子量: 327.221
• InChiKey: YAJGHMVVLMWOJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-1-(2-aminoacetyl)pyrrolidine-2-carbonitrile 2,2,2-trifluoroacetate 、 1-(2-bromoethyl)-3-(3-methoxyphenethyl)imidazolidin-2-one 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 48.5h， 生成 (S)-1-(2-(2-(3-(3-methoxyphenethyl)-2-oxoimidazolidin-1-yl)ethylamino)-acetyl)pyrrolidine-2-carbonitrile
  参考文献：
  名称：

  Synthesis and Evaluation of Novel Compounds as Potent Dipeptidyl Peptidase IV Inhibitors

  摘要：

  A series of new 2-cyanopyrrolidine derivatives with constrained imidazolidin ring were synthesized. Their structures were confirmed by 1H NMR spectroscopy and/or mass spectrometry, and their activities were evaluated in vitro. They were proven to possess submicromolar inhibitory activities against dipeptidyl peptidase IV.

  DOI：

  10.1080/00397910902919522
• 作为产物：
  描述：

  1,1-Bis(2-bromoethyl)-3-[2-(3-methoxyphenyl)ethyl]urea 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 1-(2-bromoethyl)-3-(3-methoxyphenethyl)imidazolidin-2-one
  参考文献：
  名称：

  Synthesis and Evaluation of Novel Compounds as Potent Dipeptidyl Peptidase IV Inhibitors

  摘要：

  A series of new 2-cyanopyrrolidine derivatives with constrained imidazolidin ring were synthesized. Their structures were confirmed by 1H NMR spectroscopy and/or mass spectrometry, and their activities were evaluated in vitro. They were proven to possess submicromolar inhibitory activities against dipeptidyl peptidase IV.

  DOI：

  10.1080/00397910902919522

文献信息

• Synthesis and Evaluation of Novel Compounds as Potent Dipeptidyl Peptidase IV Inhibitors
  作者：Liutang Wang、Bin Zhang、Jianxin Ji、Bogang Li、Jufang Yan、Weiyu Zhang、Yong Wu、Xuechao Wang、Hui Hou

  DOI：10.1080/00397910902919522

  日期：2009.12.15

  A series of new 2-cyanopyrrolidine derivatives with constrained imidazolidin ring were synthesized. Their structures were confirmed by 1H NMR spectroscopy and/or mass spectrometry, and their activities were evaluated in vitro. They were proven to possess submicromolar inhibitory activities against dipeptidyl peptidase IV.