2,5-dibromo-1-methoxymethyl-4-nitroimidazole | 112995-70-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,5-dibromo-1-methoxymethyl-4-nitroimidazole
• 英文别名: 1-methoxymethyl-2,5-dibromo-4-nitroimidazole；2,5-dibromo-1-(methoxymethyl)-4-nitroimidazole
• CAS: 112995-70-7
• 化学式: C₅H₅Br₂N₃O₃
• 分子量: 314.921
• InChiKey: BEVKIYYVMONLTC-UHFFFAOYSA-N

物化性质

• 沸点：
  374.2±52.0 °C(Predicted)
• 密度：
  2.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,5-dibromo-1-methoxymethyl-4-nitroimidazole 在 sodium sulfite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以87.2%的产率得到2-bromo-1-methoxymethyl-4-nitroimidazole
  参考文献：
  名称：

  [EN] PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE
  [FR] PROCEDE DE PRODUCTION DE 2-CHLORO-4-NITROIMIDAZOLE

  摘要：

  公开号：

  WO2006035960A3
• 作为产物：
  描述：

  二甲醇缩甲醛 、 2,5-二溴-4-硝基咪唑 在 甲烷磺酸 phosphorus pentoxide 作用下， 反应 3.0h， 以93.8%的产率得到2,5-dibromo-1-methoxymethyl-4-nitroimidazole
  参考文献：
  名称：

  [EN] PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE
  [FR] PROCEDE DE PRODUCTION DE 2-CHLORO-4-NITROIMIDAZOLE

  摘要：

  公开号：

  WO2006035960A3

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。
• PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE
  申请人：Shinhama Koichi

  公开号：US20090082575A1

  公开（公告）日：2009-03-26

  The present invention provides a process for production of 2-chloro-4-nitroimidazole in a high yield and at a high purity by a simple operation in a safer manner involving a low risk of explosion or the like. The present invention provides a process for production of 2-chloro-4-nitroimidazole represented by the formula (1): comprising a reaction of a 1-alkoxyalkyl-2-bromo-4-nitroimidazole compound represented by the general formula (7): wherein R1 represents a lower alkyl group, and n represents an integer of 1 to 3, with hydrogen chloride.

  本发明提供了一种制备2-氯-4-硝基咪唑的方法，通过简单的操作以更安全的方式高产率高纯度地进行，具有低爆炸风险等优点。本发明提供了一种制备2-氯-4-硝基咪唑的方法，该方法包括将一种1-烷氧基烷基-2-溴-4-硝基咪唑化合物（通式（7））与氢氯酸反应，其中R1代表低碳基团，n为1至3的整数。
• 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。