6-Amino-1-(3,3,3-triphenyl-propyl)-1H-pyrimidine-2,4-dione | 181262-90-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 6-Amino-1-(3,3,3-triphenyl-propyl)-1H-pyrimidine-2,4-dione
• CAS: 181262-90-8
• 化学式: C₂₅H₂₃N₃O₂
• 分子量: 397.477
• InChiKey: NJPPBUXQRGSKAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  80.88
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  溶剂黄146 、 原甲酸三乙酯 、 6-Amino-1-(3,3,3-triphenyl-propyl)-1H-pyrimidine-2,4-dione 反应 2.0h， 以59%的产率得到1,8-Bis-(3,3,3-triphenyl-propyl)-1H,8H-1,3,6,8,9-pentaaza-anthracene-2,4,5,7-tetraone; compound with acetic acid
  参考文献：
  名称：

  Synthesis of heterocycles containing two cytosine or two guanine base-pairing sites. Novel tectons for self-assembly

  摘要：

  The synthesis of 1 and 2 is described, as is the X-ray structure of 1. Tecton 1 contains two DAA hydrogen bonding sites (cytosine-like), while 2 contains two DDA sites (guanosine-like). Tectons 1 and 2 were designed to self-assemble into a helical superstructure. Self-recognition of 1 occurs in the solid state with a novel inclusion of dimethylacetamide solvent. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00103-4
• 作为产物：
  描述：

  3,3,3-Triphenyl-propyl-cyanamide 在 盐酸 、 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 36.0h， 生成 6-Amino-1-(3,3,3-triphenyl-propyl)-1H-pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of heterocycles containing two cytosine or two guanine base-pairing sites. Novel tectons for self-assembly

  摘要：

  The synthesis of 1 and 2 is described, as is the X-ray structure of 1. Tecton 1 contains two DAA hydrogen bonding sites (cytosine-like), while 2 contains two DDA sites (guanosine-like). Tectons 1 and 2 were designed to self-assemble into a helical superstructure. Self-recognition of 1 occurs in the solid state with a novel inclusion of dimethylacetamide solvent. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00103-4