N-dichlorophosphanyl-1-[(4-methylphenyl)methyl]pyrimidin-2-imine | 652152-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: N-dichlorophosphanyl-1-[(4-methylphenyl)methyl]pyrimidin-2-imine
• CAS: 652152-27-7
• 化学式: C₁₂H₁₂Cl₂N₃P
• 分子量: 300.127
• InChiKey: NVLDPMAMNDLHRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  30.18
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  邻甲酚 、 N-dichlorophosphanyl-1-[(4-methylphenyl)methyl]pyrimidin-2-imine 在 sulfur 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 {1-(4-methylbenzyl)-2-pyrimidinylidenamido}bis(O-2-methylphenyl) thiophosphate
  参考文献：
  名称：

  One-Pot Synthesis and Fungicidal Activity of Pyrimidinylidenamido- and Thiazolinylidenamidomonothiophosphoric Esters

  摘要：

  A novel one-pot synthesis of four new classes of amidothiophosphoric esters and trisamidothiophosphoric esters is developed. (1-Alkyl-2-pyrimidinylidenamido)bis(diethylamido)thiophosphates; (1-alkyl-2-pyrimidinylidenamido)bis (O-2/4-methylphenyl)thiophosphates, (3-alkyl-2-thiazolinylidenamido)bis (diethylamido)thiophosphate and (3-alkyl-2-thiazolinylidenamido)bis(O-2/4-methylphenyl)thiophosphates are obtained from the nucleophilic substitution and oxidation of N-alkyl-2-cycloiminylidenaminodichlorophosphines generated in situ from the reaction of the corresponding N-alkyl-2-amino-cycloiminium halide with phosphorus trichloride and triethylamine. The synthesized thiophosphoric esters have been investigated for fungicidal properties.

  DOI：

  10.1080/10426500307803
• 作为产物：
  描述：

  4-甲基氯苄 在 三乙胺 、 三氯化磷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-dichlorophosphanyl-1-[(4-methylphenyl)methyl]pyrimidin-2-imine
  参考文献：
  名称：

  One-Pot Synthesis and Fungicidal Activity of Pyrimidinylidenamido- and Thiazolinylidenamidomonothiophosphoric Esters

  摘要：

  A novel one-pot synthesis of four new classes of amidothiophosphoric esters and trisamidothiophosphoric esters is developed. (1-Alkyl-2-pyrimidinylidenamido)bis(diethylamido)thiophosphates; (1-alkyl-2-pyrimidinylidenamido)bis (O-2/4-methylphenyl)thiophosphates, (3-alkyl-2-thiazolinylidenamido)bis (diethylamido)thiophosphate and (3-alkyl-2-thiazolinylidenamido)bis(O-2/4-methylphenyl)thiophosphates are obtained from the nucleophilic substitution and oxidation of N-alkyl-2-cycloiminylidenaminodichlorophosphines generated in situ from the reaction of the corresponding N-alkyl-2-amino-cycloiminium halide with phosphorus trichloride and triethylamine. The synthesized thiophosphoric esters have been investigated for fungicidal properties.

  DOI：

  10.1080/10426500307803

文献信息

• Pyrimidin-/thiazol-/thiazolin-ylidenamidothiophosphoric dichlorides
  作者：Vijaya Kabra、Neelima Gupta、Sama Jain、Varsha Saxena

  DOI：10.1002/hc.10170

  日期：——

  corresponding aminodichlorophosphines generated in situ from the reaction of the respective N-alkyl-2-aminocycloiminium halide with PCl3 in the presence of triethylamine. These pyrimidin-/thiazol-/thiazolin-ylidenamidothiophosphoric dichlorides were isolated as stable crystalline solids and are well characterized by elemental analysis, NMR, and mass spectroscopy. © 2003 Wiley Periodicals, Inc. Heteroatom Chem

  通过硫化相应的氨基二氯膦得到九种新的包含嘧啶、噻唑和噻唑啉环的酰氨基二氯硫代磷 (V) 衍生物，这些氨基二氯膦是在三乙胺存在下由相应的 N-烷基-2-氨基环亚胺鎓卤化物与 PCl3 反应生成的。这些嘧啶-/噻唑-/噻唑啉-亚基氨基硫代磷酸二氯化物被分离为稳定的结晶固体，并通过元素分析、核磁共振和质谱进行了很好的表征。© 2003 Wiley Periodicals, Inc. 杂原子化学 14:498–502, 2003; 在线发表于 Wiley InterScience (www.interscience.wiley.com)。DOI 10.1002/hc.10170