1,3-bis[3-(p-tolyl)-2-oxopropyl]benzene | 308810-52-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,3-bis[3-(p-tolyl)-2-oxopropyl]benzene
• 英文别名: 1-(4-Methylphenyl)-3-[3-[3-(4-methylphenyl)-2-oxopropyl]phenyl]propan-2-one
• CAS: 308810-52-8
• 化学式: C₂₆H₂₆O₂
• 分子量: 370.491
• InChiKey: DYXZEZHCLCQAEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,3-bis[3-(p-tolyl)-2-oxopropyl]benzene 在 氢氧化钾 作用下， 以 乙醇 、 水 为溶剂， 反应 3.75h， 生成 1,3-bis[4-(p-tolyl)-2,3,5,6-tetraphenylphenyl]benzene
  参考文献：
  名称：

  Giant Cyclophanes Built from Polyphenyl Aromatic Substructures

  摘要：

  Two very large cyclophanes (3, C132H92O8S4; 4, C172H120O8S4) were prepared by means of short syntheses (similar to 5 steps) from commercial starting materials. In each of these cyclophanes, two octaphenylnaphthalene subunits or two 1,3-bis(pentaphenylphenyl)benzene subunits were tethered to form the final macrocycle. X-ray analysis of 3 shows it to have a collapsed conformation, but molecules of 4 have large central cavities which are aligned in the crystal to form wide, solvent-containing channels.

  DOI：

  10.1021/jo000236l
• 作为产物：
  描述：

  dimethyl 2,2'-(1,3-phenylene)diacetate 、 对甲苯基乙酸甲酯 在 lithium diisopropyl amide 作用下， 以 正己烷 为溶剂， 反应 0.25h， 以16%的产率得到1,3-bis[3-(p-tolyl)-2-oxopropyl]benzene
  参考文献：
  名称：

  Giant Cyclophanes Built from Polyphenyl Aromatic Substructures

  摘要：

  Two very large cyclophanes (3, C132H92O8S4; 4, C172H120O8S4) were prepared by means of short syntheses (similar to 5 steps) from commercial starting materials. In each of these cyclophanes, two octaphenylnaphthalene subunits or two 1,3-bis(pentaphenylphenyl)benzene subunits were tethered to form the final macrocycle. X-ray analysis of 3 shows it to have a collapsed conformation, but molecules of 4 have large central cavities which are aligned in the crystal to form wide, solvent-containing channels.

  DOI：

  10.1021/jo000236l