1-isobutyryl-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one | 1207377-18-1

• 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: 1-isobutyryl-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one
• 英文别名: 1-(2-Methylpropanoyl)-3-prop-1-en-2-ylbenzimidazol-2-one
• CAS: 1207377-18-1
• 化学式: C₁₄H₁₆N₂O₂
• 分子量: 244.293
• InChiKey: KDONHPSSWCDEAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-异丙烯基-2-苯并咪唑酮 、 异丁酸 在 三乙胺 、 三光气 作用下， 以 二氯甲烷 为溶剂， 反应 0.08h， 以89.7%的产率得到1-isobutyryl-3-(prop-1-en-2-yl)-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  Synthesis of 1-Acyl-3-isopropenylbenzimidazolone Derivatives and Their Activity against Botrytis cinerea

  摘要：

  A series of 1-acyl-3-isopropenylbenzimidazolone derivatives were synthesized, and their structures were characterized by H-1 and C-13 NMR and elemental analysis. Their fungicidal activities against Botrytis cinerea were also evaluated by spore germination assay. The acrylic acid, methacrylic acid, 4-chlorophenyl acetic acid, and 2-chlorobenzoic acid derivatives exhibited strong fungicidal activity. This implied that benzimidazolones might be potential fungicide leading compounds.

  DOI：

  10.1021/jf903855y

文献信息

• Synthesis of 1-Acyl-3-isopropenylbenzimidazolone Derivatives and Their Activity against Botrytis cinerea
  作者：Sheng-Kun Li、Zhi-Qin Ji、Ji-Wen Zhang、Zheng-Yan Guo、Wen-Jun Wu

  DOI：10.1021/jf903855y

  日期：2010.3.10

  A series of 1-acyl-3-isopropenylbenzimidazolone derivatives were synthesized, and their structures were characterized by H-1 and C-13 NMR and elemental analysis. Their fungicidal activities against Botrytis cinerea were also evaluated by spore germination assay. The acrylic acid, methacrylic acid, 4-chlorophenyl acetic acid, and 2-chlorobenzoic acid derivatives exhibited strong fungicidal activity. This implied that benzimidazolones might be potential fungicide leading compounds.