1-(1-chloroethoxycarbonyl)-3-(2-chloro-5-thiazolylmethyl)-1-methyl-2-nitroguanidine | 141227-32-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1-chloroethoxycarbonyl)-3-(2-chloro-5-thiazolylmethyl)-1-methyl-2-nitroguanidine
• 英文别名: 1-chloroethyl N-[(Z)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitrocarbamimidoyl]-N-methylcarbamate
• CAS: 141227-32-9
• 化学式: C₉H₁₁Cl₂N₅O₄S
• 分子量: 356.189
• InChiKey: DFYJOUYPNIIXCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(1-chloroethoxycarbonyl)-S,N-dimethyl-N'-nitroisothiourea 、 2-氯-5-胺甲基噻唑 以 氯仿 为溶剂， 生成 1-(1-chloroethoxycarbonyl)-3-(2-chloro-5-thiazolylmethyl)-1-methyl-2-nitroguanidine
  参考文献：
  名称：

  Substituted guanidine derivatives, their preparation and use

  摘要：

  新型替代硝基胍衍生物及其盐具有以下结构式：##STR1## 其中R.sup.1是取代或未取代的杂环基团；R.sup.2是通过硫原子连接的基团，通过磷原子连接的基团，氰基，--CO--OR.sup.6，其中R.sup.6是取代或未取代的碳氢基团或取代或未取代的杂环基团，或--CO--NR.sup.7 R.sup.8，其中R.sup.7和R.sup.8，相同或不同，各自独立地是氢、取代或未取代的碳氢基团或取代或未取代的杂环基团，或R.sup.7和R.sup.8，与它们连接的氮原子一起构成一个环状氨基团；R.sup.3是氢、取代或未取代的碳氢基团（除了一个在结合位点上取代了氧代基的基团）、通过硫原子连接的基团，通过磷原子连接的基团，氰基，--CO--R.sup.9，其中R.sup.9是氢、取代或未取代的碳氢基团或取代或未取代的杂环基团，--CO--OR.sup.10，其中R.sup.10是取代或未取代的碳氢基团或取代或未取代的杂环基团，或--CO--NR.sup.11 R.sup.12，其中R.sup.11和R.sup.12，相同或不同，各自独立地是氢、取代或未取代的碳氢基团或取代或未取代的杂环基团，或R.sup.11和R.sup.12，与它们连接的氮原子一起构成一个环状氨基团；和R.sup.4是氢或低碳基团；这些化合物具有意外强大的杀虫活性和极低的毒性。

  公开号：

  US05256679A1

文献信息

• Novel substituted guanidine derivatives, their preparation and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP0471372A1

  公开（公告）日：1992-02-19

  Novel substituted nitroguanidine derivatives and salts thereof having the following formula: wherein R¹ is a substituted or unsubstituted heterocyclic group; R² is a group attached through a sulfur atom, a group attached through a phosphorus atom, cyano, -CO-OR⁶ wherein R⁶ is a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or -CO-NR⁷R⁸ wherein R⁷ and R⁸, which are the same or different, are each independently hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or R⁷ and R⁸, taken together with the nitrogen atom to which they are attached are a cyclic amino group; R³ is hydrogen, a substituted or unsubstituted hydrocarbon group (except for one substituted with an oxo group at the binding site), a group attached through a sulfur atom, a group attached through a phosphorus atom, cyano, -CO-R⁹ wherein R⁹ is hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, -CO-OR¹⁰ wherein R¹⁰ is a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or -CO-NR¹¹R¹² wherein R¹¹ and R¹², which are the same or different, are each independently hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or R¹¹ and R¹², taken together with the nitrogen atom to which they are attached are a cyclic amino group; and R⁴ is hydrogen or a lower alkyl group; which have unexpectedly potent pesticidal activity and very low toxicity.

  具有下式的新型取代硝基胍衍生物及其盐类： 其中 R¹ 是取代或未取代的杂环基团；R² 是通过硫原子连接的基团、通过磷原子连接的基团、氰基、-CO-OR⁶ 其中 R⁶ 是取代或未取代的烃基或取代或未取代的杂环基，或 -CO-NR⁷R⁸ 其中 R⁷ 和 R⁸、相同或不同，各自独立地为氢、取代或未取代的烃基或取代或未取代的杂环基，或 R⁷ 和 R⁸ 与它们所连接的氮原子一起为环状氨基；R³ 是氢、取代或未取代的烃基（在结合位点被氧代基团取代的除外）、通过硫原子连接的基团、通过磷原子连接的基团、氰基、-CO-R⁹，其中 R𠞙 是氢、取代或未取代的烃基或取代或未取代的杂环基团、-CO-OR¹⁰，其中 R¹⁰ 是取代或未取代的烃基或取代或未取代的杂环基，或-CO-NR¹R¹²，其中 R¹¹ 和 R¹² (相同或不同)各自独立地是氢、取代或未取代的烃基或取代或未取代的杂环基，或 R¹¹ 和 R¹² 与它们所连接的氮原子一起是环状氨基；和 R⁴ 是氢或低级烷基；它们具有意想不到的强杀虫活性和极低的毒性。
• Acyclic and cyclic guanidine- and acetam idine derivatives, their preparation and their use as pesticides, esp. as parasiticides
  申请人：——

  公开号：US20030203891A1

  公开（公告）日：2003-10-30

  Novel pesticides of formula (I) 1 wherein the substituents, R, R 1 , R 2 , R 2 ′, T, U, X and Y are as defined in claim 1, are described. Also described are compositions suitable for use as parasiticides comprising those compounds as active ingredient and to methods of controlling parasites that are based on the administration of those compounds or compositions, and to the use of the said compounds and compositions in a method of controlling parasites and in the manufacture of pesticides for use against parasites. Also described are intermediates of formula (XX) 2 wherein R 1 , R 2 , R 2 ′, T, U, X and Y are as defined in claim 1; and Hal is halogen. The latter also exhibit parasiticidal activity and are suitable for the preparation of the compounds of formula (I).

  式(I)的新型农药 1 其中的取代基 R、R 1 , R 2 , R 2 ′、T、U、X 和 Y 的定义如权利要求 1, 所述。还描述了适合用作杀寄生虫剂的包含这些化合物作为活性成分的组合物，以及基于施用这些化合物或组合物的控制寄生虫的方法，以及上述化合物和组合物在控制寄生虫的方法中的用途和在制造用于防治寄生虫的杀虫剂中的用途。还描述了式 (XX) 的中间体 2 其中 R 1 , R 2 , R 2 ′、T、U、X 和 Y 如权利要求 1 所定义；以及 Hal 是卤素。 后者也具有杀寄生虫活性，适用于制备式（I）化合物。
• Acyclic and cyclic guanidine-and acetamidine derivatives, their preparation and their use as pesticides, esp. as parasiticides
  申请人：——

  公开号：US20040162283A1

  公开（公告）日：2004-08-19

  Novel pesticides of formula (I) 1 wherein the substituents, R, R 1 , R 2 , R′ 2 , T, U, X and Y are as defined in claim 1, l are described. Also described are compositions suitable for use as parasiticides comprising those compounds as active ingredient and to methods of controlling parasites that are based on the administration of those compounds or compositions, and to the use of the said compounds and compositions in a method of controlling parasites and in the manufacture of pesticides for use against parasites. Also described are intermediates of formula (XX) 2 wherein R 1 , R 2 , R′ 2 , T, U, X and Y are as defined in claim 1; and Hal is halogen. The latter also exhibit parasiticidal activity and are suitable for the preparation of the compounds of formula (I).

  式(I)的新型农药 1 其中的取代基 R、R 1 , R 2 , R′ 2 T、U、X 和 Y 的定义如权利要求 1中的定义。还描述了适合用作杀寄生虫剂的包含这些化合物作为活性成分的组合物，以及基于施用这些化合物或组合物的控制寄生虫的方法，以及所述化合物和组合物在控制寄生虫的方法中的用途和在制造用于防治寄生虫的杀虫剂中的用途。还描述了式 (XX) 的中间体 2 其中 R 1 , R 2 , R′ 2 T、U、X 和 Y 的定义如权利要求 1; 和 Hal 是卤素。 后者也具有杀寄生虫活性，适用于制备式（I）化合物。
• US5256679A
  申请人：——

  公开号：US5256679A

  公开（公告）日：1993-10-26