1-(2-chloro-5-thiazolylmethyl)-3-methyl-2-nitro-1-propionylguanidine | 141205-63-2

• 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-(2-chloro-5-thiazolylmethyl)-3-methyl-2-nitro-1-propionylguanidine
• 英文别名: 1-(2-Chloro-5-thiazolylmethyl)-3-methyl-2-nitro-1-propionylguanidine；N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(N-methyl-N'-nitrocarbamimidoyl)propanamide
• CAS: 141205-63-2
• 化学式: C₉H₁₂ClN₅O₃S
• 分子量: 305.745
• InChiKey: FYWQBRZEFQWDFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(2-chloro-5-thiazolylmethyl)-S-methyl-N'-nitro-N-propionylisothiourea 、 methylaminomethanol 在 盐酸 作用下， 以 正己烷 、 甲苯 为溶剂， 生成 1-(2-chloro-5-thiazolylmethyl)-3-methyl-2-nitro-1-propionylguanidine
  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。
• US5256679A
  申请人：——

  公开号：US5256679A

  公开（公告）日：1993-10-26
• Substituted guanidine derivatives, their preparation and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05256679A1

  公开（公告）日：1993-10-26

  Novel substituted nitroguanidine derivatives and salts thereof having the following formula: ##STR1## wherein R.sup.1 is a substituted or unsubstituted heterocyclic group; R.sup.2 is a group attached through a sulfur atom, a group attached through a phosphorus atom, cyano, --CO--OR.sup.6 wherein R.sup.6 is a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or --CO--NR.sup.7 R.sup.8 wherein R.sup.7 and R.sup.8, which are the same or different, are each independently hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or R.sup.7 and R.sup.8, taken together with the nitrogen atom to which they are attached are a cyclic amino group; R.sup.3 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--R.sup.9 wherein R.sup.9 is hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, --CO--OR.sup.10 wherein R.sup.10 is a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or --CO--NR.sup.11 R.sup.12 wherein R.sup.11 and R.sup.12, which are the same or different, are each independently hydrogen, a substituted or unsubstituted hydrocarbon group or a substituted or unsubstituted heterocyclic group, or R.sup.11 and R.sup.12, taken together with the nitrogen atom to which they are attached are a cyclic amino group; and R.sup.4 is hydrogen or a lower alkyl group; which have unexpectedly potent pesticidal activity and very low toxicity.

  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。