1,3,5-Tris-(2-benzoylvinyl)benzene | 57976-77-9

• 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: 1,3,5-Tris-(2-benzoylvinyl)benzene
• 英文别名: 3-[3,5-bis(3-oxo-3-phenylprop-1-enyl)phenyl]-1-phenylprop-2-en-1-one
• CAS: 57976-77-9
• 化学式: C₃₃H₂₄O₃
• 分子量: 468.552
• InChiKey: IABNWZGUXZNRLN-UHFFFAOYSA-N

物化性质

• 熔点：
  186-187 °C(Solv: ethanol (64-17-5); ethyl acetate (141-78-6))
• 沸点：
  695.2±55.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3,5-Tris-(2-benzoylvinyl)benzene 、 苯甲酰基亚甲基三苯基膦 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 反应 3.0h， 生成 3-{3,5-Bis-[3-oxo-1-(2-oxo-2-phenyl-ethyl)-3-phenyl-propyl]-phenyl}-1,5-diphenyl-pentane-1,5-dione
  参考文献：
  名称：

  Preparations and spin-spin interactions of 4,4′-(mphenylene)bis(1-methyl-2,6-diphenylpyridinyl) and its analogue

  摘要：

  4,4'-(m-Phenylene)bis(1-methyl-2,4,6-triphenylpyridinium (1(2+)) and 4,4',4'-(benzene-1,3,5-triyl)tris(1-methyl- 2,4,6-triphenylpyridinium) (2(3+)) were synthesized and their metal reductions were studied; 1(2+) triplet diradical (1) in the ground state, and 2(3+) produced also a triplet diradical and the expected quartet species was not observed.

  DOI：

  10.1016/00404-0399(50)1261-f
• 作为产物：
  描述：

  均苯三甲醛 、 苯甲酰基亚甲基三苯基膦 以 二甲基亚砜 为溶剂， 反应 4.0h， 生成 1,3,5-Tris-(2-benzoylvinyl)benzene
  参考文献：
  名称：

  Preparations and spin-spin interactions of 4,4′-(mphenylene)bis(1-methyl-2,6-diphenylpyridinyl) and its analogue

  摘要：

  4,4'-(m-Phenylene)bis(1-methyl-2,4,6-triphenylpyridinium (1(2+)) and 4,4',4'-(benzene-1,3,5-triyl)tris(1-methyl- 2,4,6-triphenylpyridinium) (2(3+)) were synthesized and their metal reductions were studied; 1(2+) triplet diradical (1) in the ground state, and 2(3+) produced also a triplet diradical and the expected quartet species was not observed.

  DOI：

  10.1016/00404-0399(50)1261-f