N-(N,N-dimethylaminomethylene)-N'-methyl-N"-nitroguanidine

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: N-(N,N-dimethylaminomethylene)-N'-methyl-N"-nitroguanidine
• 英文别名: N,N-dimethyl-N'-[(E)-N-methyl-N'-nitrocarbamimidoyl]methanimidamide
• 化学式: C₅H₁₁N₅O₂
• 分子量: 173.175
• InChiKey: RDHISKLCXAYNSO-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-氯-5-氯甲基吡啶 、 N,N-二甲基甲酰胺二乙基缩醛 、 1-(6-chloro-pyridin-3-ylmethyl)-1-methyl-2-nitroguanidine 、 N-(N,N-dimethylaminomethylene)-N'-methyl-N"-nitroguanidine 以 1,4-二氧六环 、 乙醇 、 正己烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 生成 N-(2-chloropyrid-5-ylmethyl)-N-methyl-N'-(N,N-dimethylaminomethylene)-N"-nitroguanidine
  参考文献：
  名称：

  Pyridine compounds which are useful as pesticides

  摘要：

  公式为##STR1##的化合物，其中R.sub.1为氢，C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，R.sub.2为氢或C.sub.1-C.sub.4烷基，R.sub.3为氢，C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，R.sub.4为C.sub.1-C.sub.4烷基，C.sub.3-C.sub.6环烷基或--CH.sub.2 CH.sub.2 COOR.sub.7，或R.sub.3和R.sub.4一起为--(CH.sub.2).sub.4--或--(CH.sub.2).sub.5--，R.sub.5为氢，C.sub.1-C.sub.4烷基，##STR2## --CH.sub.2 OCH.sub.3，--CN，--COOR.sub.7或##STR3##，R.sub.6为氢，氯，甲基或硝基，R.sub.7和R.sub.8分别为甲基或乙基，A为未取代或单到四取代的芳香或非芳香，单环或双环，杂环基，其中一到两个取代基从C.sub.1-C.sub.3卤代烷基，环丙基，卤代环丙基，C.sub.2-C.sub.3烯基，C.sub.2-C.sub.3炔基，C.sub.2-C.sub.3卤代烯基，C.sub.2-C.sub.3卤代炔基，C.sub.1-C.sub.3卤代烷氧基，C.sub.1-C.sub.3烷基硫基，C.sub.1-C.sub.3卤代烷基硫基，烯丙氧基，丙炔氧基，烯丙硫基，丙炔硫基，卤代烯丙氧基，卤代烯丙硫基，氰基和硝基中选择，并从C.sub.1-C.sub.3烷基，C.sub.1-C.sub.3烷氧基和卤素中选择一到四个取代基，.dbd.X为.dbd.N--NO.sub.2，.dbd.CH--NO.sub.2，.dbd.N--CN或.dbd.CH--CO--CF.sub.3，可以作为农药活性成分使用，并可以按照已知的方法制备成自由形式或酸盐形式。

  公开号：

  US05223520A1

文献信息

• Pyridine compounds which are useful as pesticides
  申请人：Ciba-Geigy Corporation

  公开号：US05223520A1

  公开（公告）日：1993-06-29

  Compounds of formula ##STR1## wherein R.sub.1 is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.3 -C.sub.6 cycloalkyl, R.sub.2 is hydrogen or C.sub.1 -C.sub.4 alkyl, R.sub.3 is hydrogen, C.sub.1 -C.sub.4 alkyl or C.sub.3 -C.sub.6 cycloalkyl and R.sub.4 is C.sub.1 -C.sub.4 alkyl, C.sub.3 -C.sub.6 cycloalkyl or --CH.sub.2 CH.sub.2 COOR.sub.7, or R.sub.3 and R.sub.4 together are --(CH.sub.2).sub.4 -- or --(CH.sub.2).sub.5 --, R.sub.5 is hydrogen, C.sub.1 -C.sub.4 alkyl, ##STR2## --CH.sub.2 OCH.sub.3, --CN, --COOR.sub.7 or ##STR3## R.sub.6 is hydrogen, chlorine, methyl or nitro, R.sub.7 and R.sub.8 are each methyl or ethyl, A is an unsubstituted or mono- to tetra-substituted, aromatic or non-aromatic, monocyclic or bicyclic, heterocyclic radical, one or two substituents being selected from the group consisting of C.sub.1 -C.sub.3 haloalkyl, cyclopropyl, halocyclopropy, C.sub.2 -C.sub.3 alkenyl, C.sub.2 -C.sub.3 alkynyl, C.sub.2 -C.sub.3 haloalkenyl, C.sub.2 -C.sub.3 haloalkynyl, C.sub.1 -C.sub.3 haloalkoxy, C.sub.1 -C.sub.3 alkylthio, C.sub.1 -C.sub.3 haloalkylthio, allyloxy, propargyloxy, allylthio, propargylthio, haloallyloxy, haloallylthio, cyano and nitro, and from one to four substituents being selected from the group consisting of C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.3 alkoxy and halogen, and .dbd.X is .dbd.N--NO.sub.2, .dbd.CH--NO.sub.2, .dbd.N--CN or .dbd.CH--CO--CF.sub.3, in free form or in the form of acid addition salts, can be used as agrochemical active ingredients and can be prepared in a manner known per se.

  公式为##STR1##的化合物，其中R.sub.1为氢，C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，R.sub.2为氢或C.sub.1-C.sub.4烷基，R.sub.3为氢，C.sub.1-C.sub.4烷基或C.sub.3-C.sub.6环烷基，R.sub.4为C.sub.1-C.sub.4烷基，C.sub.3-C.sub.6环烷基或--CH.sub.2 CH.sub.2 COOR.sub.7，或R.sub.3和R.sub.4一起为--(CH.sub.2).sub.4--或--(CH.sub.2).sub.5--，R.sub.5为氢，C.sub.1-C.sub.4烷基，##STR2## --CH.sub.2 OCH.sub.3，--CN，--COOR.sub.7或##STR3##，R.sub.6为氢，氯，甲基或硝基，R.sub.7和R.sub.8分别为甲基或乙基，A为未取代或单到四取代的芳香或非芳香，单环或双环，杂环基，其中一到两个取代基从C.sub.1-C.sub.3卤代烷基，环丙基，卤代环丙基，C.sub.2-C.sub.3烯基，C.sub.2-C.sub.3炔基，C.sub.2-C.sub.3卤代烯基，C.sub.2-C.sub.3卤代炔基，C.sub.1-C.sub.3卤代烷氧基，C.sub.1-C.sub.3烷基硫基，C.sub.1-C.sub.3卤代烷基硫基，烯丙氧基，丙炔氧基，烯丙硫基，丙炔硫基，卤代烯丙氧基，卤代烯丙硫基，氰基和硝基中选择，并从C.sub.1-C.sub.3烷基，C.sub.1-C.sub.3烷氧基和卤素中选择一到四个取代基，.dbd.X为.dbd.N--NO.sub.2，.dbd.CH--NO.sub.2，.dbd.N--CN或.dbd.CH--CO--CF.sub.3，可以作为农药活性成分使用，并可以按照已知的方法制备成自由形式或酸盐形式。