6-(1,3-Dimethyl-2,4-dioxopyrimidil)ethan-1'-chloro-2'methoxy | 150993-26-3

• 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-(1,3-Dimethyl-2,4-dioxopyrimidil)ethan-1'-chloro-2'methoxy
• CAS: 150993-26-3
• 化学式: C₉H₁₃ClN₂O₃
• 分子量: 232.667
• InChiKey: PNHPUWCIUIMDTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  53.23
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6-(1,3-Dimethyl-2,4-dioxopyrimidil)ethan-1'-chloro-2'methoxy 在 sodium tetrahydroborate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以85%的产率得到6-(1,3-Dimethyl-2,4-dioxopyrimidil)ethan-2'-methoxy
  参考文献：
  名称：

  Researches on antiviral agents. 3. synthesis and transformations of racemic and chiral 6-oxiranyl pyrimidinones.

  摘要：

  The synthesis of epoxides 3, 4 and 6 has been described. The transformation of 3 into C-6 alkylated uracils 22a-e, 23a-d, 24 and 25 is also reported The chiral epoxide (S)-(+)-3 has been prepared via a modified Solladie procedure, while the ZnCl2- DIBAH reduction step failed to give the expected enantiomer (R)-(-)-3. This result has been discussed on the ground of molecular modeling studies.

  DOI：

  10.1016/s0040-4020(01)87190-8
• 作为产物：
  描述：

  6-Oxiranyl-1,3-dimethyl-pyrimidin-2,4-dione 在 氯化亚砜 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 6-(1,3-Dimethyl-2,4-dioxopyrimidil)ethan-1'-chloro-2'methoxy
  参考文献：
  名称：

  Researches on antiviral agents. 3. synthesis and transformations of racemic and chiral 6-oxiranyl pyrimidinones.

  摘要：

  The synthesis of epoxides 3, 4 and 6 has been described. The transformation of 3 into C-6 alkylated uracils 22a-e, 23a-d, 24 and 25 is also reported The chiral epoxide (S)-(+)-3 has been prepared via a modified Solladie procedure, while the ZnCl2- DIBAH reduction step failed to give the expected enantiomer (R)-(-)-3. This result has been discussed on the ground of molecular modeling studies.

  DOI：

  10.1016/s0040-4020(01)87190-8