tert-butyl 2-(2-oxo-3-(3-phenoxybenzyl)imidazolidin-1-yl)acetate | 1344670-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl 2-(2-oxo-3-(3-phenoxybenzyl)imidazolidin-1-yl)acetate
• 英文别名: Tert-butyl 2-[2-oxo-3-[(3-phenoxyphenyl)methyl]imidazolidin-1-yl]acetate
• CAS: 1344670-70-7
• 化学式: C₂₂H₂₆N₂O₄
• 分子量: 382.459
• InChiKey: DTDNGCMMAILBKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(2-oxo-3-(3-phenoxybenzyl)imidazolidin-1-yl)acetate 在 三氟乙酸 、 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 1.0h， 以97%的产率得到2-(2-oxo-3-(3-phenoxybenzyl)imidazolidin-1-yl)acetic acid
  参考文献：
  名称：

  Design and synthesis of inhibitors of noroviruses by scaffold hopping

  摘要：

  A scaffold hopping strategy was employed to identify new chemotypes that inhibit noroviruses. The replacement of the cyclosulfamide scaffold by an array of heterocyclic scaffolds lead to the identification of additional series of compounds that possessed anti-norovirus activity in a cell-based replicon system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.032
• 作为产物：
  描述：

  间苯氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 tert-butyl 2-(2-oxo-3-(3-phenoxybenzyl)imidazolidin-1-yl)acetate
  参考文献：
  名称：

  Design and synthesis of inhibitors of noroviruses by scaffold hopping

  摘要：

  A scaffold hopping strategy was employed to identify new chemotypes that inhibit noroviruses. The replacement of the cyclosulfamide scaffold by an array of heterocyclic scaffolds lead to the identification of additional series of compounds that possessed anti-norovirus activity in a cell-based replicon system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.032

文献信息

• Design and synthesis of inhibitors of noroviruses by scaffold hopping
  作者：Dengfeng Dou、Sivakoteswara Rao Mandadapu、Kevin R. Alliston、Yunjeong Kim、Kyeong-Ok Chang、William C. Groutas

  DOI：10.1016/j.bmc.2011.08.032

  日期：2011.10

  A scaffold hopping strategy was employed to identify new chemotypes that inhibit noroviruses. The replacement of the cyclosulfamide scaffold by an array of heterocyclic scaffolds lead to the identification of additional series of compounds that possessed anti-norovirus activity in a cell-based replicon system. (C) 2011 Elsevier Ltd. All rights reserved.