6-chloro-4-N-[2-(diethoxyphosphorylmethoxy)ethyl]pyrimidine-4,5-diamine | 212894-84-3

• 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: 6-chloro-4-N-[2-(diethoxyphosphorylmethoxy)ethyl]pyrimidine-4,5-diamine
• CAS: 212894-84-3
• 化学式: C₁₁H₂₀ClN₄O₄P
• 分子量: 338.731
• InChiKey: XQOQVFYGPPJEJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-chloro-4-N-[2-(diethoxyphosphorylmethoxy)ethyl]pyrimidine-4,5-diamine 在 氨 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 27.0h， 生成 [[2-(6-氨基-9H-嘌呤-9-基)乙氧基]甲基]膦酸二乙酯
  参考文献：
  名称：

  A New Regio-Defined Synthesis of PMEA

  摘要：

  A new regio-defined synthesis of PMEA was developed suitable for gram-scale synthesis. Key to this synthesis was the early introduction of the phosphonomethoxy ethyl moiety and subsequent cyclization for the construction of the purine ring. This synthesis is regiospecific when compared to the commonly used adenine alkylation methods.

  DOI：

  10.1080/07328319808003479
• 作为产物：
  描述：

  2-[2-(Diethoxyphosphorylmethoxy)ethyl]isoindole-1,3-dione 在 三乙胺 、 肼 作用下， 以 乙醇 为溶剂， 反应 21.0h， 生成 6-chloro-4-N-[2-(diethoxyphosphorylmethoxy)ethyl]pyrimidine-4,5-diamine
  参考文献：
  名称：

  A New Regio-Defined Synthesis of PMEA

  摘要：

  A new regio-defined synthesis of PMEA was developed suitable for gram-scale synthesis. Key to this synthesis was the early introduction of the phosphonomethoxy ethyl moiety and subsequent cyclization for the construction of the purine ring. This synthesis is regiospecific when compared to the commonly used adenine alkylation methods.

  DOI：

  10.1080/07328319808003479

文献信息

• A New Regio-Defined Synthesis of PMEA
  作者：Qun Dang、Van Liu、Mark D. Erion

  DOI：10.1080/07328319808003479

  日期：1998.8

  A new regio-defined synthesis of PMEA was developed suitable for gram-scale synthesis. Key to this synthesis was the early introduction of the phosphonomethoxy ethyl moiety and subsequent cyclization for the construction of the purine ring. This synthesis is regiospecific when compared to the commonly used adenine alkylation methods.