2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenol | 1639809-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenol
• 英文别名: 2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenolate；2,4-Dibromo-6-(2-morpholin-4-ylethyliminomethyl)phenol
• CAS: 1639809-20-3
• 化学式: C₁₃H₁₆Br₂N₂O₂
• 分子量: 392.09
• InChiKey: GTGHHHKSUZARNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  45.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate trihydrate 、 2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenol 以 甲醇 为溶剂， 反应 1.0h， 以62%的产率得到
  参考文献：
  名称：

  TWO NEW SCHIFF BASE NI II AND CU II COMPLEXES: SYNTHESIS AND STRUCTURES

  摘要：

  Schiff base ligands 2-bromo-4-chloro-6-[(2-piperidin-1-ylethylimino) methyl] phenol (BCP) and 2,4-dibromo-6-[(2-morpholin-4-ylethylimino) methyl] phenol (DBP) and their nickel(II) and copper(II) complexes [Ni(BCP)(2)(CH3OH)(2)]center dot 2NO(3) (1) and [Cu(DBP)(2)] (2), have been prepared and characterized by elemental analyses, IR, and single crystal X-ray crystallographic determination. The crystal of (1) is orthorhombic: space group Pbcn, a = 23.894(1), b = 8.244(2), c = 19.900(2) angstrom, V = 3919.9(10) angstrom(3), Z = 4. The crystal of (2) is monoclinic: space group P2(1)/c, a = 7.072(2), b = 15.426(3), c = 14.214(3) angstrom, beta = 96.718(2)degrees, V = 1540.0(7) angstrom(3), Z = 2. The Schiff bases coordinate to the metal atoms through the phenolate O and imine N atoms. The Ni atom in (1) is in an octahedral coordination, and the Cu atom in (2) is in a square planar coordination.

  DOI：

  10.4067/s0717-97072013000300019
• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 3,5-二溴水杨醛 以 甲醇 为溶剂， 反应 0.5h， 生成 2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenol
  参考文献：
  名称：

  Crystal structures of bis(AZIDO)bis(2-morpholin-4-ylethylamino)copper(II) and bis{2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl] phenolato}copper(II)

  摘要：

  Two new copper(II) complexes [Cu(MEA)(2)(N-3)(2)] (1) and [Cu(BMP)(2)] (2), where MEA and BMP are 2-morpholin-4-ylethylamine and 2,4-dibromo-6-[(2-morpholin-4-ylethylimino)methyl]phenolate respectively, are prepared and characterized using elemental analysis, FT-IR spectroscopy, and X-ray single crystal diffraction. The crystal of 1 belongs to the triclinic system, space group P-1, with a = 6.661(2) , b = 8.440(3) , c = 8.913(3) , alpha = 102.032(3)A degrees, beta = 107.899(2)A degrees, gamma = 98.242(3)A degrees, V = 454.6(3) (3), Z = 1, D (c) = 1.490 g/cm(3), R (1) = 0.0226, and wR (2) = 0.0564. The crystal of 2 belongs to the monoclinic system, space group P2(1)/c, with alpha = 7.0707(7) , b = 15.438(1) , c = 14.227(1) , beta = 96.659(2)A degrees, V = 1542.5(3) (3), Z = 2, D (c) = 1.821 g/cm(3), R (1) = 0.0437, and wR (2) = 0.1041. In each complex, the Cu atom is in a square planar coordination. The molecules of 1 are linked through intermolecular N-H...N and N-H...O hydrogen bonds to form layers parallel to the ab plane. The molecules of 2 are linked through intermolecular C-H...Br hydrogen bonds to form a 3D network.

  DOI：

  10.1134/s0022476614010223