| 129116-57-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 129116-57-0
• 化学式: C₃₀H₂₆ClNO₂
• 分子量: 467.995
• InChiKey: DIGSJYLPJHSIDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 vanadium (IV) oxide acetate * 2.5 water 在 NaOH 作用下， 以 甲醇 为溶剂， 以56%的产率得到
  参考文献：
  名称：

  Synthesis and Structure of β-Ketoanilide Metal(II) Complexes

  摘要：

  Complexes of the type ML(2) . nH(2)O [where M = Cu (II), Ni (II), Co (II) and VO (IV); L = 1,2,3,5,6,7,8,8a-octahydro-3-oxo-N-(4-X-phenyl) -1-phenyl-5-(phenylmethylene) -2-naphthalenecarboxamide (X = H, CH3, OCH3 or Cl); n = 0 or 2] have been synthesised and characterized on the basis of elemental analyses, magnetic moments and IR, ESR and electronic spectra. The ligands were found to be ambidendate and coordinate as N,O-bidenates in their CU(II) complexes and as N,O-bidendates in their Ni(II), Co(II) and VO(IV) complexes. Square-planar and square-pyramidal structures are assigned, respectively, to the Cu(II) and VO(IV) complexes adn octahedral structures to the Ni(II) and Co(II) complexes. The electron donating or withdrawing ability of the substituents present at the para position of the amide function has a profound effect on the Delta(E) values for the d-d transitions and line spacings in the ESR spectra.

  DOI：

  10.1080/00945719608004768
• 作为产物：
  描述：

  乙酰基乙酰对氯苯胺 、 2,6-二苯亚甲基环己酮 在 potassium methanolate 作用下， 以75%的产率得到
  参考文献：
  名称：

  Yousif; Sofan; Etman, Journal of the Indian Chemical Society, 1990, vol. 67, # 1, p. 55 - 57

  摘要：

  DOI：