1-[3-[N-[2-[1-(3-acetyl-2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-2-hydroxy-5-methylphenyl]ethanone | 192987-02-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-[N-[2-[1-(3-acetyl-2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-2-hydroxy-5-methylphenyl]ethanone
• CAS: 192987-02-3
• 化学式: C₂₄H₂₈N₂O₄
• 分子量: 408.497
• InChiKey: LMOGXUVSGWGWCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  99.3
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[3-[N-[2-[1-(3-acetyl-2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-2-hydroxy-5-methylphenyl]ethanone 、 lead(II) thiocyanate 在 water 作用下， 以 乙醇 为溶剂， 以35%的产率得到
  参考文献：
  名称：

  提供内源桥的配体配合物。第3部分。衍生自2,6-二乙酰基-4-甲基苯酚的大环的非过渡金属配合物；单核钡配合物的晶体结构

  摘要：

  讨论了在非过渡金属模板剂的存在下，由2,6-二乙酰基-4-甲基苯酚与1，n-链烷二胺缩合衍生的大环配合物的合成。报道了衍生自1，3-二氨基-2-丙醇和苯酚的大环的单核高氯酸钡络合物的晶体结构。折叠配体，使得芳环彼此平行，并且钡位于供体原子环的顶部。晶体是正交晶体，空间群Fdd 2（C 19 2 v，编号43），a = 37.252（28），b = 7.643（4），c = 22.631（22）Å，Z= 8; I /σ（I）> 3.0的1134个独立反射给出R = 0.0350。

  DOI：

  10.1039/dt9870001865

文献信息

• Binickel(II) complex of a new asymmetrical acyclic ligand: the X-ray crystal structure of [Ni2L](ClO4)2 reveals alternating square-planar and octahedral nickel ions
  作者：Xiaoyuan Chen、Shuzhong Zhan、Chuanjiang Hu、Qingjin Meng、Jie Shun

  DOI：10.1016/s0020-1693(96)05543-0

  日期：1997.7

  The binuclear nickel(II) complex of the macrocyclic ligand H2L which contains one =N(CH2)(2)N= and one =N(CH2)(2)NH- moiety has been studied. In the mixed spin-state complex [Ni2L] [ClO4](2) (1), one nickel center is square-planar (low spin), accommodated by the smaller N2O2 cavity provided by the phenolic oxygens and =N(CH2)(2)N= nitrogens; the other nickel center is octahedral (high spin), accommodated by the larger cavity provided by the phenolic oxygens and =N(CH2)(2)NH- nitrogens. Diethylenetriamine takes the skew configuration, which inhibits the full cyclization. This leads to one primary amino nitrogen and one acetyl oxygen on both sides of the octahedral nickel completing the fifth and sixth coordination sites. The Pauling covalent radius of low-spin Ni2+ is ca. 0.20 Angstrom shorter than that of high-spin Ni2+, leading to considerably stronger in-plane ligand-field strength of N2O2 donors at the square nickel(II) relative to that of the octahedral nickel(II). Crystallographic data for (1): space group P-1, triclinic, a=11.573(2) Angstrom, b=15.608(3) Angstrom, c=10.943(2) Angstrom, alpha=104.54(2)degrees, beta=114.97(1)degrees, gamma=82.62(1)degrees, Z=2, R=0.061, R-w=0.079.