E-N-(1-phenyl-2-diethoxyphosphoryl ethenyl)-N'-propylurea | 223716-25-4

• 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: E-N-(1-phenyl-2-diethoxyphosphoryl ethenyl)-N'-propylurea
• 英文别名: 1-[(E)-2-diethoxyphosphoryl-1-phenylethenyl]-3-propylurea
• CAS: 223716-25-4
• 化学式: C₁₆H₂₅N₂O₄P
• 分子量: 340.359
• InChiKey: XGIRQLPBVOHESO-FYWRMAATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  23.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  76.66
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  E-N-(1-phenyl-2-diethoxyphosphoryl ethenyl)-N'-propylurea 在 甲基锂 作用下， 反应 0.25h， 以75%的产率得到Z-N-(1-phenyl-2-diethoxyphosphoryl ethenyl)-N'-propylurea
  参考文献：
  名称：

  A new and efficient strategy for the preparation of 1,5,2-diazaphosphorines from primary β-enaminophosphonates

  摘要：

  A new and efficient synthesis of 1,5,2-diazaphosphorines is described. The key step is a base-induced heterocyclization of functionalized urea compounds. These compounds are formed by addition of primary beta-enaminophosphonates to isocyanates. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00068-x
• 作为产物：
  描述：

  异氰酸丙酯 、 (Z)-diethyl 2-amino-2-phenylvinylphosphonate 以97%的产率得到E-N-(1-phenyl-2-diethoxyphosphoryl ethenyl)-N'-propylurea
  参考文献：
  名称：

  A new and efficient strategy for the preparation of 1,5,2-diazaphosphorines from primary β-enaminophosphonates

  摘要：

  A new and efficient synthesis of 1,5,2-diazaphosphorines is described. The key step is a base-induced heterocyclization of functionalized urea compounds. These compounds are formed by addition of primary beta-enaminophosphonates to isocyanates. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00068-x