ZnCl2(2-amino-4,6-dimethyloxyl pyrimidine)2 | 748164-95-6

• 英文名称: ZnCl2(2-amino-4,6-dimethyloxyl pyrimidine)2
• 英文别名: Zn(AMP)2Cl2
• CAS: 748164-95-6；578706-87-3
• 化学式: C₁₂H₁₈Cl₂N₆O₄Zn
• 分子量: 446.609
• InChiKey: KIKQDYSHNMAZNN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  ZnCl2(2-amino-4,6-dimethyloxyl pyrimidine)2 以 neat (no solvent) 为溶剂， 生成 zinc(II) chloride
  参考文献：
  名称：

  Preparation, crystal structure and thermochemistry of Zn(AMP)2Cl2

  摘要：

  The complex of zinc chloride and 2-amino-4,6-dimethyloxyl pyrimidine (AMP) was prepared, and the composition of the complex was determined by chemical and elemental analyses. Complex was characterized by IR, XPS, H-1 NMR and TG-DTG techniques. In addition X-ray structural analysis was performed. Crystals of [Zn(AMP)(2)Cl-2] revealed the following parameters: M-r = 446.59; orthorhombic Pbca; a = 13.0208 (10); b = 13.8531 (11); c = 20.0652 (15)Angstrom; V = 3619.3 (5) Angstrom(3); Z = 8; D-calc = 1.639 Mg m(-3); Mo Kalpha lambda = 0.71073 Angstrom; mu = 1.683 mm(-1): T = 293 K: R = 0.0431 for 2510 observed reflections. The constant-volume combustion energies of the ligand and the complex, A, E, were determined by a precise rotating-bomb calorimeter at 298.15 K. They were -3340.01 +/- 1.54 and -6552.76 +/- 3.55 kJ mol(-1), respectively. Their standard enthalpy of combustion, Delta(c)H(m)(theta), and standard enthalpy of formation, Delta(f)H(m)(theta), were calculated, which were -3339.39 +/- 1.54, -6546.56 +/- 3.35 and -307.91 +/- 1.74, -995.10 +/- 3.93 kJ mol(-1). (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.tca.2003.12.025
• 作为产物：
  描述：

  2-氨基-4,6-二甲氧基嘧啶 、 zinc(II) chloride 以 乙醇 为溶剂， 以78.5%的产率得到ZnCl2(2-amino-4,6-dimethyloxyl pyrimidine)2
  参考文献：
  名称：

  Preparation, crystal structure and thermochemistry of Zn(AMP)2Cl2

  摘要：

  The complex of zinc chloride and 2-amino-4,6-dimethyloxyl pyrimidine (AMP) was prepared, and the composition of the complex was determined by chemical and elemental analyses. Complex was characterized by IR, XPS, H-1 NMR and TG-DTG techniques. In addition X-ray structural analysis was performed. Crystals of [Zn(AMP)(2)Cl-2] revealed the following parameters: M-r = 446.59; orthorhombic Pbca; a = 13.0208 (10); b = 13.8531 (11); c = 20.0652 (15)Angstrom; V = 3619.3 (5) Angstrom(3); Z = 8; D-calc = 1.639 Mg m(-3); Mo Kalpha lambda = 0.71073 Angstrom; mu = 1.683 mm(-1): T = 293 K: R = 0.0431 for 2510 observed reflections. The constant-volume combustion energies of the ligand and the complex, A, E, were determined by a precise rotating-bomb calorimeter at 298.15 K. They were -3340.01 +/- 1.54 and -6552.76 +/- 3.55 kJ mol(-1), respectively. Their standard enthalpy of combustion, Delta(c)H(m)(theta), and standard enthalpy of formation, Delta(f)H(m)(theta), were calculated, which were -3339.39 +/- 1.54, -6546.56 +/- 3.35 and -307.91 +/- 1.74, -995.10 +/- 3.93 kJ mol(-1). (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.tca.2003.12.025