1-benzyl-3,5-dimethyl-2,4-pyrimidinedione | 253142-34-6

• 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-benzyl-3,5-dimethyl-2,4-pyrimidinedione
• 英文别名: 1-benzyl-3,5-dimethyl-1H-pyrimidine-2,4-dione；1-Benzyl-3,5-dimethyl-1H-pyrimidin-2,4-dion；1-Benzyl-3,5-dimethylpyrimidine-2,4(1H,3H)-dione；1-benzyl-3,5-dimethylpyrimidine-2,4-dione
• CAS: 253142-34-6
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: AFISSQNSSOEPES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-dimethyl-2-methoxy-4-pyrimidinone 在 盐酸 、 lithium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 12.0h， 生成 1-benzyl-3,5-dimethyl-2,4-pyrimidinedione
  参考文献：
  名称：

  HSAB驱动的尿嘧啶衍生物烷基化反应的化学选择性。3-烷基化和不对称的1,3-二烷基化尿嘧啶的高产制剂

  摘要：

  已发现2-甲氧基-4（3H）-嘧啶酮1-3的共轭碱的定性硬度标度（N 1

  DOI：

  10.1016/s0040-4020(99)00736-x

文献信息

• Molecular Recognition in Structured Matrixes:  Control of Guest Localization in Block Copolymer Films
  作者：Roy Shenhar、Hao Xu、Benjamin L. Frankamp、Thomas E. Mates、Amitav Sanyal、Oktay Uzun、Vincent M. Rotello

  DOI：10.1021/ja055490f

  日期：2005.11.23

  We demonstrate the use of molecular recognition to control the spatial distribution of guest molecules within block copolymer films. Block copolymers bearing recognition units were combined with complementary and noncomplementary molecules, and the extent of segregation of these molecules into the different domain types within microphase-separated thin films was quantitatively analyzed using dynamic secondary ion mass spectrometry (SIMS). Complementarity between the guest molecules and the polymer functionalities proved to be a key factor and an efficient tool for directing the segregation preference of the molecules to the different domain types. The effect of segregation preference on the glass transition temperature was studied using differential scanning calorimetry (DSC), and the results corroborate the SIMS findings. In a complementary study, guests with tunable sizes (via dendron substituents) were used to control block copolymer morphology. Morphological characterization using transmission electron microscopy (TEM) and X-ray diffraction reveal that selectivity differences can be directly translated into the ability to obtain different morphologies from recognition unit-functionalized block copolymer scaffolds.
• Johnson; Derby, American Chemical Journal, 1908, vol. 40, p. 457
  作者：Johnson、Derby

  DOI：——

  日期：——
• HSAB Driven chemoselectivity in alkylation of uracil derivatives. A high yielding preparation of 3-alkylated and unsymmetrically 1,3-dialkylated uracils
  作者：Augusto Gambacorta、Mohamed Elmi Farah、Daniela Tofani

  DOI：10.1016/s0040-4020(99)00736-x

  日期：1999.10

  A qualitative hardness scale (N1

  已发现2-甲氧基-4（3H）-嘧啶酮1-3的共轭碱的定性硬度标度（N 1