4-chloro-2-[(2-diethylaminopropylimino)methyl]phenol | 1246968-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-chloro-2-[(2-diethylaminopropylimino)methyl]phenol
• 英文别名: 4-Chloro-2-[(3-diethylaminopropylimino)methyl]phenol；4-chloro-2-[3-(diethylamino)propyliminomethyl]phenol
• CAS: 1246968-52-4
• 化学式: C₁₄H₂₁ClN₂O
• 分子量: 268.787
• InChiKey: WCBSEKGEXAUCFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-chloro-2-[(2-diethylaminopropylimino)methyl]phenol 、 zinc dibromide 以 甲醇 为溶剂， 以61%的产率得到dibromo(4-chloro-2-[(2-diethylaminopropylimino)methyl]phenol)zinc(II)
  参考文献：
  名称：

  Synthesis, characterization, and crystal structures of two Schiff base zinc(II) complexes with urease inhibitory activities

  摘要：

  Two Schiff base zinc(II) complexes, [ZnBr2L1] center dot 2CH(3)OH (I) (I) and [ZnBr2L2] (II), where L-1 is 4-chloro-2-[(2-piperazin-1-ylethylimino)methyl]phenol and L-2 is 4-chloro-2-[(3-diethylaminopropylimino)methyl]phenol were synthesized and structurally characterized. The crystal of I is monoclinic: space group P2(1)/c, a = 9.831(3), b = 18.680(6), c = 11.879(4) , beta = 94.660(6)A degrees, V = 2174.3(11) (3), Z = 4. The crystal of II is monoclinic: space group P2(1)/n, a = 7.2310(14), b = 16.037(3), c = 15.856(3), beta = 90.01(3)A degrees, V = 1838.7(6) (3), Z = 4. The Zn atom in each complex is four-coordinated by one phenolate O and one imine N atoms of the Schiff base ligand and two bromide atoms, forming a tetrahedral coordination. The urease inhibitory activities of the complexes were evaluated.

  DOI：

  10.1134/s1070328410070109