2-Amino-3-(4-methyl-benzyl)-4,5-dihydro-thiazol-3-ium; bromide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Amino-3-(4-methyl-benzyl)-4,5-dihydro-thiazol-3-ium; bromide
• 英文别名: 3-[(4-Methylphenyl)methyl]-1,3-thiazolidin-2-imine;hydrobromide
• 化学式: Br*C₁₁H₁₅N₂S
• 分子量: 287.223
• InChiKey: QIBLRDMMKXCRJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.43
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Amino-3-(4-methyl-benzyl)-4,5-dihydro-thiazol-3-ium; bromide 在 三乙胺 、 三氯化磷 作用下， 以 甲苯 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  新型功能化二氯膦的合成：双配位磷杂环的前体

  摘要：

  3-烷基-2-氨基环亚铵盐与PCI 3在Et 3 N存在下的反应产生了一类新的官能化二氯膦，其分子内经历脱卤化氢反应形成1,3,4，-二氮杂磷杂环。这些二氯膦显示出环境反应性。

  DOI：

  10.1016/0040-4039(91)80188-c
• 作为产物：
  描述：

  2-氨基-2-噻唑啉 、 4-甲基苄溴 以 四氢呋喃 为溶剂， 以89%的产率得到2-Amino-3-(4-methyl-benzyl)-4,5-dihydro-thiazol-3-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

• Synthesis of new functionalized dichlorophosphines: precursors of dicoordinated phosphorus heterocycles
  作者：Raj.K. Bansal、Dinesh C. Sharma、Ruchi Mahnot

  DOI：10.1016/0040-4039(91)80188-c

  日期：1991.10

  Reaction of 3-alkyl-2-aminocycloimmonium salts with PCI3 in presence of Et3N gives a new class of functionalized dichlorophosphines which undergo dehydrohalogenation intramolecularly to form 1,3,4,-diazaphospholo heterocycles. These dichlorophosphines show ambident reactivity.

  3-烷基-2-氨基环亚铵盐与PCI 3在Et 3 N存在下的反应产生了一类新的官能化二氯膦，其分子内经历脱卤化氢反应形成1,3,4，-二氮杂磷杂环。这些二氯膦显示出环境反应性。
• 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
• 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.