3-(2-chloro-5-pyridylmethyl)-1-isopropyl-4-methylamino-5-nitro-1,2,3,6-tetrahydropyrimidine | 129438-42-2

• 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: 3-(2-chloro-5-pyridylmethyl)-1-isopropyl-4-methylamino-5-nitro-1,2,3,6-tetrahydropyrimidine
• 英文别名: 1-[(6-chloropyridin-3-yl)methyl]-N-methyl-5-nitro-3-propan-2-yl-2,4-dihydropyrimidin-6-amine
• CAS: 129438-42-2
• 化学式: C₁₄H₂₀ClN₅O₂
• 分子量: 325.798
• InChiKey: GSOJFDBIXAUXPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77.2
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• 5-nitro-tetrahydropyrimidines and insecticides containing them for agricultural uses
  申请人：NIHON BAYER AGROCHEM K.K.

  公开号：EP0402717A1

  公开（公告）日：1990-12-19

  The present invention relates to novel 5-nitro-tetrahydropyrimidines, processes for the preparation thereof and their use as insecticides. The novel compounds can be characterized by the general formula (I) wherein Z represents a substituted phenyl group or an optionally substituted five-membered or six-membered heterocyclic group comprising at least one hetero atom selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom, R represents hydrogen atom or a lower alkyl group, R¹ and R² each represent hydrogen atom, an optionally substituted lower alkyl group, a lower alkenyl group, a lower alkynyl group, an optionally substituted phenyl group, an optionally substituted benzyl group, R³ represents a hydrogen atom, an optionally substituted alkyl group, a lower alkenyl group, a lower alkynyl group, a cycloalkyl group optionally substituted by a lower alkyl group, an optionally substituted phenyl group, an optionally substituted benzyl group, an optionally substituted heterocyclic group, and n represents 0 or 1.

  本发明涉及新型 5-硝基四氢嘧啶、其制备工艺及其作为杀虫剂的用途。 这些新型化合物的通式为 (I) 其中 Z 代表取代的苯基或任选取代的五元或六元杂环基团，该杂环基团包含至少一个杂原子，该杂原子选自由氮原子、氧原子和硫原子组成的组、 R 代表氢原子或低级烷基、 R¹ 和 R² 分别代表氢原子、任选取代的低级烷基、低级烯基、低级炔基、任选取代的苯基、任选取代的苄基、 R³ 代表氢原子、任选取代的烷基、低级烯基、低级炔基、任选被低级烷基取代的环烷基、任选取代的苯基、任选取代的苄基、任选取代的杂环基，n 代表 0 或 1。