methyl N-[6-[4-[(2-chlorophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate | 209803-69-0

• 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: methyl N-[6-[4-[(2-chlorophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
• CAS: 209803-69-0
• 化学式: C₂₂H₁₈ClN₅O₃S
• 分子量: 467.936
• InChiKey: LNQKSXBQDGGVFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  133
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  对氯苯异氰酸酯 、 methyl N-[6-[4-[(2-chlorophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate 以 二甲基亚砜 为溶剂， 反应 3.0h， 以93.3%的产率得到methyl N-[1-[(4-chlorophenyl)carbamoyl]-5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]sulfanylbenzimidazol-2-yl]carbamate
  参考文献：
  名称：

  Reaction of Methyl 5(6)-(4-Aminophenylthio)- 2-benzimidazolylcarbamate with Isocyanates

  摘要：

  Methyl 5(6)-(4-aminophenylthio)-2-benzimidazolylcarbamate reacts with aliphatic and aromatic isocyanates to give mono- and disubstitution products. The former are formed by the reaction involving the aniline nitrogen and the latter, by the reaction involving both the aniline and benzimidazole nitrogens. Biological activity of the products was assessed.

  DOI：

  10.1023/b:rugc.0000007660.04499.c1
• 作为产物：
  描述：

  1,2,4-三氯萘 、 N-[6-[(4-氨基苯基)硫代]-1H-苯并咪唑-2-基]-氨基甲酸甲酯 以 二甲基亚砜 为溶剂， 以98.7%的产率得到methyl N-[6-[4-[(2-chlorophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
  参考文献：
  名称：

  Reaction of Methyl 5(6)-(4-Aminophenylthio)- 2-benzimidazolylcarbamate with Isocyanates

  摘要：

  Methyl 5(6)-(4-aminophenylthio)-2-benzimidazolylcarbamate reacts with aliphatic and aromatic isocyanates to give mono- and disubstitution products. The former are formed by the reaction involving the aniline nitrogen and the latter, by the reaction involving both the aniline and benzimidazole nitrogens. Biological activity of the products was assessed.

  DOI：

  10.1023/b:rugc.0000007660.04499.c1

文献信息

• Reaction of Methyl 5(6)-(4-Aminophenylthio)- 2-benzimidazolylcarbamate with Isocyanates
  作者：V. S. Pilyugin、A. N. Mikhailyuk、V. M. Kosareva、R. B. Valitov、G. V. Kiseleva、S. L. Kuznetsova

  DOI：10.1023/b:rugc.0000007660.04499.c1

  日期：2003.8

  Methyl 5(6)-(4-aminophenylthio)-2-benzimidazolylcarbamate reacts with aliphatic and aromatic isocyanates to give mono- and disubstitution products. The former are formed by the reaction involving the aniline nitrogen and the latter, by the reaction involving both the aniline and benzimidazole nitrogens. Biological activity of the products was assessed.