1,3-Dibenzyl-6-formyl-pyrimidin-2,4-dione | 150993-19-4

• 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: 1,3-Dibenzyl-6-formyl-pyrimidin-2,4-dione
• 英文别名: 1,3-Dibenzyl-6-formyluracil；1,3-dibenzyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbaldehyde；1,3-dibenzyl-2,6-dioxopyrimidine-4-carbaldehyde
• CAS: 150993-19-4
• 化学式: C₁₉H₁₆N₂O₃
• 分子量: 320.348
• InChiKey: SYCQWELVSCHCJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  trimethylsulfonium iodide 、 1,3-Dibenzyl-6-formyl-pyrimidin-2,4-dione 在 sodium hydride 、 二甲基亚砜 作用下， 生成 6-Vinyl-1,3-dibenzyl-pyrimidin-2,4-dione 、 1,3-Dibenzyl-6-oxiranyl-pyrimidin-2,4-dione
  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：

  1,3-dibenzyl-6-methyl-pyrimidin-2,4-dione 在 selenium(IV) oxide 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 反应 24.0h， 以98%的产率得到1,3-Dibenzyl-6-formyl-pyrimidin-2,4-dione
  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

文献信息

• THIELLIER H. P. M.; KOOMEN G.-J.; PANDIT U. K., HETEROCYCLES <HETC-A4>, 1975, 3, NO 9, 707-712
  作者：THIELLIER H. P. M.、 KOOMEN G.-J.、 PANDIT U. K.

  DOI：——

  日期：——