diethyl 2-[4-imino-5-methyl-3-(4-methylbenzyloxy)-2-oxo-imidazolidin-5-yl]ethylphosphonate | 684230-20-4

• 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: diethyl 2-[4-imino-5-methyl-3-(4-methylbenzyloxy)-2-oxo-imidazolidin-5-yl]ethylphosphonate
• 英文别名: 4-[2-[Diethoxy(oxido)phosphaniumyl]ethyl]-5-imino-4-methyl-1-[(4-methylphenyl)methoxy]imidazolidin-2-one
• CAS: 684230-20-4
• 化学式: C₁₈H₂₈N₃O₅P
• 分子量: 397.411
• InChiKey: XPRJOXNZTOQTLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 2-[4-imino-5-methyl-3-(4-methylbenzyloxy)-2-oxo-imidazolidin-5-yl]ethylphosphonate 在 三甲基溴硅烷 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 24.5h， 生成 2-[5-methyl-3-(4-methylbenzyloxy)-2-oxo-4-phenylcarbamoylimino-imidazolidin-5-yl]ethylphosphonic acid
  参考文献：
  名称：

  Synthesis and reactivity of 3-aralkoxy-4-imino-imidazolidin-2-ones: a novel class of 4-iminohydantoins

  摘要：

  Reactions of diethylphosphonoalkyl alpha-aminonitriles with 1,1'-carbonyl-diirnidazole or 1,1'-carbonyl-di-(1,2,4-triazole) and O-substituted hydroxylamines under acidic conditions gave 3-alkoxy-4-imino-imidazolidin-2-ones, whereas in presence of triethylamine 4-alkoxy(aralkoxy)imino-imidazolidin-2-ones were formed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.068
• 作为产物：
  描述：

  3-amino-3-cyano-3-methyl-propylphosphonic acid diethyl ester 在 盐酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 99.17h， 生成 diethyl 2-[4-imino-5-methyl-3-(4-methylbenzyloxy)-2-oxo-imidazolidin-5-yl]ethylphosphonate
  参考文献：
  名称：

  Synthesis and reactivity of 3-aralkoxy-4-imino-imidazolidin-2-ones: a novel class of 4-iminohydantoins

  摘要：

  Reactions of diethylphosphonoalkyl alpha-aminonitriles with 1,1'-carbonyl-diirnidazole or 1,1'-carbonyl-di-(1,2,4-triazole) and O-substituted hydroxylamines under acidic conditions gave 3-alkoxy-4-imino-imidazolidin-2-ones, whereas in presence of triethylamine 4-alkoxy(aralkoxy)imino-imidazolidin-2-ones were formed. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2003.12.068