| 181262-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 181262-79-3
• 化学式: C₁₆H₂₀Cl₂N₄
• 分子量: 339.268
• InChiKey: XZMZDCKXGFCDMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  22.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.64
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal sodium hypophosphite 、 氨 、 sodium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成
  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：

  百菌清 、 正丁胺 在 三乙胺 作用下， 以 苯 为溶剂， 反应 40.0h， 以30%的产率得到
  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

文献信息

• Synthesis of heterocycles containing two cytosine or two guanine base-pairing sites. Novel tectons for self-assembly
  作者：Paul M. Petersen、Weiming Wu、Edward E. Fenlon、Sungho Kim、Steven C. Zimmerman

  DOI：10.1016/0968-0896(96)00103-4

  日期：1996.7

  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