<(4-(((benzyloxy)carbonyl)amino)-1,2-dihydro-2-oxo-1-pyrimidinyl)methoxy>-1,3-propanediyl bis-L-valinate | 170700-78-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: <(4-(((benzyloxy)carbonyl)amino)-1,2-dihydro-2-oxo-1-pyrimidinyl)methoxy>-1,3-propanediyl bis-L-valinate
• 英文别名: [3-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-2-[[2-oxo-4-(phenylmethoxycarbonylamino)pyrimidin-1-yl]methoxy]propyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
• CAS: 170700-78-4
• 化学式: C₄₂H₄₉N₅O₁₂
• 分子量: 815.877
• InChiKey: LJVYNXUDSLLIIQ-ZPGRZCPFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  59
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  210
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  富马酸 、 <(4-(((benzyloxy)carbonyl)amino)-1,2-dihydro-2-oxo-1-pyrimidinyl)methoxy>-1,3-propanediyl bis-L-valinate 在 palladium on activated charcoal 环己烯 作用下， 生成 2-<(4-amino-1,2-dihydro-2-oxo-1-pyrimidinyl)methoxy>-1,3-propanediyl-di-L-valinate fumarate
  参考文献：
  名称：

  An Efficient Synthesis of 2-[(4-Amino∼1,2-dihyro-2-oxo-1- pyrimidinyl)methoxyi-l,3-propanediyl-di-L-valinate an Anti-cytomegalovirus Agent

  摘要：

  An efficient synthesis for large scale preparation of the titled compound, a prodrug for the anti-HCMV agent 1-[2-hydroxy-1-(hydroxymethyl)ethoxyl]cytosine, 9, has been developed. The product of each step is easily purified by either distillation or recrystallization and the final product is obtained in a high overall yield.

  DOI：

  10.1080/15257779508009494
• 作为产物：
  描述：

  氯甲酸苄酯 在 sodium hydroxide 、 碳酸氢钠 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 <(4-(((benzyloxy)carbonyl)amino)-1,2-dihydro-2-oxo-1-pyrimidinyl)methoxy>-1,3-propanediyl bis-L-valinate
  参考文献：
  名称：

  An Efficient Synthesis of 2-[(4-Amino∼1,2-dihyro-2-oxo-1- pyrimidinyl)methoxyi-l,3-propanediyl-di-L-valinate an Anti-cytomegalovirus Agent

  摘要：

  An efficient synthesis for large scale preparation of the titled compound, a prodrug for the anti-HCMV agent 1-[2-hydroxy-1-(hydroxymethyl)ethoxyl]cytosine, 9, has been developed. The product of each step is easily purified by either distillation or recrystallization and the final product is obtained in a high overall yield.

  DOI：

  10.1080/15257779508009494

文献信息

• An Efficient Synthesis of 2-[(4-Amino∼1,2-dihyro-2-oxo-1- pyrimidinyl)methoxyi-l,3-propanediyl-di-L-valinate an Anti-cytomegalovirus Agent
  作者：Nabih Ghal、Barbara Johnston、Lilia Beauchamp、Taj Naseree、Tracy Scott、Roy Flanagan、Martha Rodriguez

  DOI：10.1080/15257779508009494

  日期：1995.9

  An efficient synthesis for large scale preparation of the titled compound, a prodrug for the anti-HCMV agent 1-[2-hydroxy-1-(hydroxymethyl)ethoxyl]cytosine, 9, has been developed. The product of each step is easily purified by either distillation or recrystallization and the final product is obtained in a high overall yield.