Isopropyl 2-benzimidazolecarboxylate | 91350-66-2

• 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: Isopropyl 2-benzimidazolecarboxylate
• 英文别名: Benzimidazol-carbonsaeure-(2)-isopropylester；1H-benzoimidazole-2-carboxylic acid isopropyl ester；propan-2-yl 1H-benzimidazole-2-carboxylate
• CAS: 91350-66-2
• 化学式: C₁₁H₁₂N₂O₂
• 分子量: 204.228
• InChiKey: DZEKMAZBPULYMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  氯甲酸异丙酯 、 Isopropyl 2-benzimidazolecarboxylate 在 吡啶 作用下， 反应 8.0h， 以75%的产率得到Benzoimidazole-1,2-dicarboxylic acid diisopropyl ester
  参考文献：
  名称：

  Synthesis and antiviral assays of some 2-substituted benzimidazole-N-carbamates

  摘要：

  Some 2-substituted benzimidazole-N-carbamates were synthesized and tested in vitro for antiviral activity. Two derivatives were active at noncytotoxic concentrations. The results confirmed the importance of the substituents at the 2-position of benzimidazole; an isopropylcarboxamide group led to the best activity. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00117-2
• 作为产物：
  描述：

  异丙醇 、 2-(三氯甲基)-苯并咪唑 在 sodium carbonate 作用下， 反应 10.0h， 以70%的产率得到Isopropyl 2-benzimidazolecarboxylate
  参考文献：
  名称：

  Synthesis and antiviral assays of some 2-substituted benzimidazole-N-carbamates

  摘要：

  Some 2-substituted benzimidazole-N-carbamates were synthesized and tested in vitro for antiviral activity. Two derivatives were active at noncytotoxic concentrations. The results confirmed the importance of the substituents at the 2-position of benzimidazole; an isopropylcarboxamide group led to the best activity. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(99)00117-2

文献信息

• Synthesis and antiviral assays of some 2-substituted benzimidazole-N-carbamates
  作者：L Garuti、M Roberti、G Gentilomi

  DOI：10.1016/s0014-827x(99)00117-2

  日期：2000.1

  Some 2-substituted benzimidazole-N-carbamates were synthesized and tested in vitro for antiviral activity. Two derivatives were active at noncytotoxic concentrations. The results confirmed the importance of the substituents at the 2-position of benzimidazole; an isopropylcarboxamide group led to the best activity. (C) 2000 Elsevier Science S.A. All rights reserved.