1-(2-cyanoethyl)-4-nitro-2-(4-nitrophenylthio)imidazole

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-(2-cyanoethyl)-4-nitro-2-(4-nitrophenylthio)imidazole
• 英文别名: 3-[4-nitro-2-(4-nitrophenyl)sulfanylimidazol-1-yl]propanenitrile
• 化学式: C₁₂H₉N₅O₄S
• 分子量: 319.301
• InChiKey: AJZKWUCYLXXCIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  159
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-(2-cyanoethyl)-4-nitro-2-(4-nitrophenylthio)imidazole 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 盐酸 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 3.0h， 以58%的产率得到4-nitro-2-(4-nitrophenylthio)-imidazole
  参考文献：
  名称：

  EP1553088

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(2-cyanoethyl)-2-(4-nitrophenylthio)-imidazole 在 四丁基硝酸铵 、 三氟乙酸 、 sodium hydroxide 作用下， 以 氯仿 、 水 为溶剂， 反应 7.0h， 以12%的产率得到1-(2-cyanoethyl)-5-nitro-2-(4-nitrophenylthio)imidazole
  参考文献：
  名称：

  EP1553088

  摘要：

  公开号：

文献信息

• 1-substituted-4-nitroimidazole compound and process for producing the same
  申请人：Goto Fumitake

  公开号：US20060079697A1

  公开（公告）日：2006-04-13

  The present invention relates to a 1-substituted-4-nitroimidazole compound represented by the general formula (1) or a salt thereof, (wherein R is a hydrogen atom, a lower alkoxy group-substituted lower alkyl group, a phenyl-lower alkoxy group-substituted lower alkyl group, a cyano-substituted lower alkyl group, a phenyl-lower alkyl group which may have lower alkoxy groups as the substituents in the phenyl ring or a group of the formula —CH 2 R A ; X is a halogen atom or a group of the formula —S(O)n—R 1 ) and method for preparing the same. The compound of the formula (1) is a useful compound as an intermediate for synthesis of various pharmaceutical and agricultural chemicals, particularly, as intermediates for antitubercular agents.

  本发明涉及一种1-取代-4-硝基咪唑化合物，其通式为（1），或其盐，其中R是氢原子，低烷氧基取代的低烷基，苯基-低烷氧基取代的低烷基，氰基取代的低烷基，苯基-低烷基（苯环上可能有低烷氧基取代物）或式子-CH2RA的基团；X是卤素原子或式子-S(O)n-R1的基团。本发明还涉及其制备方法。式（1）的化合物是一种有用的化合物，可用作合成各种药物和农药化学品的中间体，特别是抗结核药物的中间体。
• 1-Substituted-4-nitroimidazole compound and method for preparing the same
  申请人：Goto Fumitaka

  公开号：US20080200689A1

  公开（公告）日：2008-08-21

  The present invention relates to a 1-substituted-4-nitroimidazole compound represented by the general formula (1) or a salt thereof, (wherein R is a hydrogen atom, a lower alkoxy group-substituted lower alkyl group, a phenyl-lower alkoxy group-substituted lower alkyl group, a cyano-substituted lower alkyl group, a phenyl-lower alkyl group which may have lower alkoxy groups as the substituents in the phenyl ring or a group of the formula —CH 2 R A ; X is a halogen atom or a group of the formula —S(O)n-R 1 ) and method for preparing the same. The compound of the formula (1) is a useful compound as an intermediate for synthesis of various pharmaceutical and agricultural chemicals, particularly, as intermediates for antitubercular agents.

  本发明涉及一种由通式（1）表示的1-取代-4-硝基咪唑化合物或其盐（其中R是氢原子、较低烷氧基取代的较低烷基、苯基-较低烷氧基取代的较低烷基、氰基取代的较低烷基、苯基-较低烷基（苯环上可能存在较低烷氧基作为取代基）或式子—CH2RA的基团；X是卤素原子或式子—S（O）n-R1的基团），以及其制备方法。通式（1）的化合物是一种有用的化合物，可用作合成各种药物和农药化学品的中间体，特别是用作抗结核药物的中间体。
• 1-substituted-4-nitroimidazole compound and method for preparing the same
  申请人：Goto Fumitaka

  公开号：US20080097107A1

  公开（公告）日：2008-04-24

  The present invention relates to a 1-substituted-4-nitroimidazole compound represented by the general formula (1) or a salt thereof, (wherein R is a hydrogen atom, a lower alkoxy group-substituted lower alkyl group, a phenyl-lower alkoxy group-substituted lower alkyl group, a cyano-substituted lower alkyl group, a phenyl-lower alkyl group which may have lower alkoxy groups as the substituents in the phenyl ring or a group of the formula —CH 2 R A ; X is a halogen atom or a group of the formula —S(O)n-R 1 ) and method for preparing the same. The compound of the formula (1) is a useful compound as an intermediate for synthesis of various pharmaceutical and agricultural chemicals, particularly, as intermediates for antitubercular agents.

  本发明涉及一种由通式（1）表示的1-取代-4-硝基咪唑化合物或其盐，其中R是氢原子、低位烷氧基取代的低碳基、苯基-低位烷氧基取代的低碳基、氰基取代的低碳基、苯基-低碳基（苯环上可能有低位烷氧基取代物）或公式-CH2RA的基团；X是卤素原子或公式-S（O）n-R1的基团。本发明还涉及制备该化合物的方法。式（1）的化合物是一种有用的化合物，可用作合成各种制药和农业化学品的中间体，特别是抗结核药物的中间体。
• 1-Substituted-4-Nitroimidazole Compound and Method for Preparing the Same
  申请人：GOTO Fumitaka

  公开号：US20120130082A1

  公开（公告）日：2012-05-24

  The present invention relates to a 1-substituted-4-nitroimidazole compound represented by the general formula (1) or a salt thereof, (wherein R is a hydrogen atom, a lower alkoxy group-substituted lower alkyl group, a phenyl-lower alkoxy group-substituted lower alkyl group, a cyano-substituted lower alkyl group, a phenyl-lower alkyl group which may have lower alkoxy groups as the substituents in the phenyl ring or a group of the formula —CH 2 R A ; X is a halogen atom or a group of the formula —S(O)n-R 1 ) and method for preparing the same. The compound of the formula (1) is a useful compound as an intermediate for synthesis of various pharmaceutical and agricultural chemicals, particularly, as intermediates for antitubercular agents.

  本发明涉及一种由通式（1）表示的1-取代-4-硝基咪唑化合物或其盐（其中R为氢原子，低烷氧基取代的低烷基，苯基-低烷氧基取代的低烷基，氰基取代的低烷基，苯基-低烷基，其苯环上可能带有低烷氧基取代物，或者为公式—CH2RA的基团；X为卤素原子或公式—S（O）n-R1的基团），以及制备该化合物的方法。公式（1）的化合物是一种有用的中间体，可用于合成各种医药和农业化学品，特别是抗结核药物的中间体。
• 1-SUBSTITUTED 4-NITROIMIDAZOLE COMPOUND AND PROCESS FOR PRODUCING THE SAME
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：EP1553088A1

  公开（公告）日：2005-07-13

  The present invention relates to a 1-substituted-4-nitroimidazole compound represented by the general formula (1) or a salt thereof, (wherein R is a hydrogen atom, a lower alkoxy group-substituted lower alkyl group, a phenyl-lower alkoxy group-substituted lower alkyl group, a cyano-substituted lower alkyl group, a phenyl-lower alkyl group which may have lower alkoxy groups as the substituents in the phenyl ring or a group of the formula -CH2RA; X is a halogen atom or a group of the formula -S(O)n-R1) and method for preparing the same. The compound of the formula (1) is a useful compound as an intermediate for synthesis of various pharmaceutical and agricultural chemicals, particularly, as intermediates for antitubercular agents.

  本发明涉及通式(1)代表的1-取代-4-硝基咪唑化合物或其盐、 (其中R为氢原子、低级烷氧基取代的低级烷基、苯基-低级烷氧基取代的低级烷基、氰基取代的低级烷基、苯基-低级烷基（其在苯基环中可有低级烷氧基作为取代基）或式-CH2RA的基团；X为卤素原子或式-S(O)n-R1的基团）及其制备方法。式（1）化合物是一种有用的化合物，可作为合成各种医药和农药的中间体，特别是作为抗结核剂的中间体。