2-Amino-1-benzylpyrimidin-1-ium bromide | 652152-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-Amino-1-benzylpyrimidin-1-ium bromide
• 英文别名: 1-benzylpyrimidin-1-ium-2-amine;bromide
• CAS: 652152-17-5
• 化学式: Br*C₁₁H₁₂N₃
• 分子量: 266.14
• InChiKey: SRDVDEWJJMEUOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.0
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Amino-1-benzylpyrimidin-1-ium bromide 在 三乙胺 、 三氯化磷 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以70%的产率得到1-benzyl-N-dichlorophosphanylpyrimidin-2-imine
  参考文献：
  名称：

  嘧啶-/噻唑-/噻唑啉-亚基氨基硫代磷酸二氯化物

  摘要：

  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

  DOI：

  10.1002/hc.10170
• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 溴甲苯 以 四氢呋喃 为溶剂， 以85%的产率得到2-Amino-1-benzylpyrimidin-1-ium bromide
  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

• One-Pot Synthesis and Fungicidal Activity of Pyrimidinylidenamido- and Thiazolinylidenamidomonothiophosphoric Esters
  作者：Neelima Gupta、Vijaya Kabra、Varsha Saxena、Sama Jain、Kalpana Bhatnager

  DOI：10.1080/10426500307803

  日期：2003.4

  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.
• 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
• Novel Synthetic Approach to Thiophosphinates Incorporating Different N-Heterocycles
  作者：Vijaya Kabra、Sunita Mitharwal、Arpana Meel、Suman Tanwar

  DOI：10.1080/10426500802060735

  日期：2008.11.7

  Eight new cycloiminylidenamidothiophosphinates incorporating pyridine, pyrimidine, thiazole, and benzothiazole heterocycles were synthesized by phosphorylation of the quaternary iminium salts of the heterocycles by diphenylchlorophosphine followed by in situ sulfurization by elemental sulfur. Crystalline solid products were well characterized by elemental analysis and NMR spectroscopy.