1-tert-Butyl-3-[6-(2,4-dichloro-phenoxy)-2,4-diisopropyl-pyridin-3-yl]-thiourea | 133979-36-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-tert-Butyl-3-[6-(2,4-dichloro-phenoxy)-2,4-diisopropyl-pyridin-3-yl]-thiourea
• CAS: 133979-36-9
• 化学式: C₂₂H₂₉Cl₂N₃OS
• 分子量: 454.464
• InChiKey: HJYVWTFXAQVQRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  29.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.18
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-tert-Butyl-3-[6-(2,4-dichloro-phenoxy)-2,4-diisopropyl-pyridin-3-yl]-thiourea 在 2-氯-1-甲基吡啶碘化物 、 三乙胺 作用下， 以 乙腈 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  N-(pyrid-3-yl)thioureas and derivatives as acaricides. I. Synthesis and biological properties

  摘要：

  AbstractIn the course of optimization studies around diafenthiuron, the central aromatic nucleus linked directly to the thiourea unit was replaced by a pyridine moiety. A series of N‐(pyrid‐3‐yl)thioureas, ‐isothioureas and ‐carbodiimides was synthesised and evaluated for acaricidal activity. The synthetic methodology used and the screening results against some spider mites (Tetranychus spp. and Panonychus ssp.) are discussed.

  DOI：

  10.1002/ps.2780420402
• 作为产物：
  描述：

  6-(2,4-dichlorophenoxy)-3-nitro-2,4-di(propan-2-yl)pyridine 在 Ra-Ni 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 吡啶 、 乙醇 、 甲苯 为溶剂， 生成 1-tert-Butyl-3-[6-(2,4-dichloro-phenoxy)-2,4-diisopropyl-pyridin-3-yl]-thiourea
  参考文献：
  名称：

  N-(pyrid-3-yl)thioureas and derivatives as acaricides. I. Synthesis and biological properties

  摘要：

  AbstractIn the course of optimization studies around diafenthiuron, the central aromatic nucleus linked directly to the thiourea unit was replaced by a pyridine moiety. A series of N‐(pyrid‐3‐yl)thioureas, ‐isothioureas and ‐carbodiimides was synthesised and evaluated for acaricidal activity. The synthetic methodology used and the screening results against some spider mites (Tetranychus spp. and Panonychus ssp.) are discussed.

  DOI：

  10.1002/ps.2780420402