2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenol | 1188537-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenol
• 英文别名: 2-Bromo-4-chloro-6-[2-(dimethylamino)ethyliminomethyl]phenol
• CAS: 1188537-96-3
• 化学式: C₁₁H₁₄BrClN₂O
• 分子量: 305.602
• InChiKey: CAJUTCLJLZGMBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 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：

  bis(acetylacetonate)oxovanadium 、 2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenol 以 甲醇 为溶剂， 以45%的产率得到[VO(N(CH3)2C2H4NCHC6H2(O)(Cl)(Br))(acac)]
  参考文献：
  名称：

  Hydrogen Bond-Induced Assembly and Crystal Structures of Two Oxovanadium Complexes with Schiff Bases

  摘要：

  Two new oxovanadium complexes, [VOL1(acac)] (1) and [VO2L2](2) (2), where acac is acetylacetone, and L-1 and L-2 are the deprotonated forms of 2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenol (HL1) and 2-bromo-4-chloro-6-[(2-methylaminoethylimino)methyl]phenol (HL2), respectively, have been synthesized and characterized by infrared (IR) spectra and single-crystal x-ray diffraction. Complex (1) is a mononuclear oxovanadium(IV) complex. Complex (2) is a centrosymmetric dinuclear dioxovanadium(V) complex, with the V center dot center dot center dot V distance of 3.133(2) angstrom. The V atoms in both complexes are in octahedral coordination. The different of the structures of the complexes is largely induced by the hydrogen bonds during the self-assembly.

  DOI：

  10.1080/15533174.2011.591360