4-(4-oxopentan-2-ylideneamino)benzoic acid | 59554-50-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-oxopentan-2-ylideneamino)benzoic acid
• 英文别名: 4-(1-Methyl-3-oxobutylideneamino)benzoic acid
• CAS: 59554-50-6
• 化学式: C₁₂H₁₃NO₃
• 分子量: 219.24
• InChiKey: YTWXUKFSTKJLKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  66.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(4-oxopentan-2-ylideneamino)benzoic acid 、 cadmium(II) acetate dihydrate 以 甲醇 为溶剂， 以67%的产率得到
  参考文献：
  名称：

  Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid

  摘要：

  Metal(II) acetates of nickel, zinc and cadmium facilitate hydrolysis of 4-(4-oxopentan-2-ylideneamino) benzoic acid (iminocarb). In the case of nickel a dinuclear iminocarb complex is proposed as intermediate species to form nickel complex of 4-aminobenzoic acid (Haben). The nickel complex formed from hydrolysis has a composition [Ni(O2CCH3)(2)(Haben)(2)(H2O)(2)]center dot 2H(2)O. In this complex, the nitrogen atoms of the 4-aminobenzoic acid ligands coordinate to nickel ion and the benzoic acid end of the ligands remain free. A five coordinate [Zn(aben)(2)(py)(H2O)] complex is obtained from a similar reaction of iminocarb with zinc(II) acetate followed by reaction with pyridine (py). On the other hand the reaction of iminocarb with cadmium(II) acetate forms a coordination polymer [{Cd(aben)(2)(H2O)}center dot H2O](n). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.005
• 作为产物：
  描述：

  对氨基苯甲酸 、 乙酰丙酮 以 甲醇 为溶剂， 反应 6.0h， 以86%的产率得到4-(4-oxopentan-2-ylideneamino)benzoic acid
  参考文献：
  名称：

  Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid

  摘要：

  Metal(II) acetates of nickel, zinc and cadmium facilitate hydrolysis of 4-(4-oxopentan-2-ylideneamino) benzoic acid (iminocarb). In the case of nickel a dinuclear iminocarb complex is proposed as intermediate species to form nickel complex of 4-aminobenzoic acid (Haben). The nickel complex formed from hydrolysis has a composition [Ni(O2CCH3)(2)(Haben)(2)(H2O)(2)]center dot 2H(2)O. In this complex, the nitrogen atoms of the 4-aminobenzoic acid ligands coordinate to nickel ion and the benzoic acid end of the ligands remain free. A five coordinate [Zn(aben)(2)(py)(H2O)] complex is obtained from a similar reaction of iminocarb with zinc(II) acetate followed by reaction with pyridine (py). On the other hand the reaction of iminocarb with cadmium(II) acetate forms a coordination polymer [{Cd(aben)(2)(H2O)}center dot H2O](n). (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.09.005

文献信息

• Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid
  作者：Nithi Phukan、Jubaraj B. Baruah

  DOI：10.1016/j.ica.2012.09.005

  日期：2013.1

  Metal(II) acetates of nickel, zinc and cadmium facilitate hydrolysis of 4-(4-oxopentan-2-ylideneamino) benzoic acid (iminocarb). In the case of nickel a dinuclear iminocarb complex is proposed as intermediate species to form nickel complex of 4-aminobenzoic acid (Haben). The nickel complex formed from hydrolysis has a composition [Ni(O2CCH3)(2)(Haben)(2)(H2O)(2)]center dot 2H(2)O. In this complex, the nitrogen atoms of the 4-aminobenzoic acid ligands coordinate to nickel ion and the benzoic acid end of the ligands remain free. A five coordinate [Zn(aben)(2)(py)(H2O)] complex is obtained from a similar reaction of iminocarb with zinc(II) acetate followed by reaction with pyridine (py). On the other hand the reaction of iminocarb with cadmium(II) acetate forms a coordination polymer [Cd(aben)(2)(H2O)}center dot H2O](n). (C) 2012 Elsevier B.V. All rights reserved.