3-(3-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-3-ylpropionyl)-oxazolidin-2-one | 481674-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 3-(3-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-3-ylpropionyl)-oxazolidin-2-one
• 英文别名: 3-[3-(2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl)propanoyl]-1,3-oxazolidin-2-one
• CAS: 481674-05-9
• 化学式: C₁₆H₁₇N₃O₃
• 分子量: 299.329
• InChiKey: NNLQREIKTPCWCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(3-三氟甲基苯基)哌嗪 、 3-(3-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-3-ylpropionyl)-oxazolidin-2-one 以 乙腈 为溶剂， 反应 10.0h， 以85%的产率得到3-(2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-3-yl)-1-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-propan-1-one
  参考文献：
  名称：

  Tin-Free Radical Sequences under Acidic Conditions. Convergent Access to Azole-Containing Structures

  摘要：

  graphicVarious xanthates add efficiently to olefins bearing [1,2,4]triazole, imidazole, or benzimidazole moieties in the presence of camphorsulfonic acid via a radical chain reaction initiated by a small amount of lauroyl peroxide. The adducts may be transformed to more complex molecules by implementing a further radical cyclization.

  DOI：

  10.1021/ol0270024
• 作为产物：
  描述：

  1-(3-丁烯-1-基)-1H-苯并咪唑 、 O-ethyl S-[2-oxo-2-(oxazolidin-2-on-3-yl)ethyl]carbonodithioate 在 过氧化双月桂酰 、 D(+)-10-樟脑磺酸 作用下， 以 1,2-二氯乙烷 为溶剂， 以57%的产率得到3-(3-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-3-ylpropionyl)-oxazolidin-2-one
  参考文献：
  名称：

  Tin-Free Radical Sequences under Acidic Conditions. Convergent Access to Azole-Containing Structures

  摘要：

  graphicVarious xanthates add efficiently to olefins bearing [1,2,4]triazole, imidazole, or benzimidazole moieties in the presence of camphorsulfonic acid via a radical chain reaction initiated by a small amount of lauroyl peroxide. The adducts may be transformed to more complex molecules by implementing a further radical cyclization.

  DOI：

  10.1021/ol0270024

文献信息

• Tin-Free Radical Sequences under Acidic Conditions. Convergent Access to Azole-Containing Structures
  作者：Fabien Gagosz、Samir Z. Zard

  DOI：10.1021/ol0270024

  日期：2002.11.1

  graphicVarious xanthates add efficiently to olefins bearing [1,2,4]triazole, imidazole, or benzimidazole moieties in the presence of camphorsulfonic acid via a radical chain reaction initiated by a small amount of lauroyl peroxide. The adducts may be transformed to more complex molecules by implementing a further radical cyclization.