| 876034-09-2

• CAS: 876034-09-2
• 化学式: C₃₁H₃₅GaN₇O₁₁*K
• 分子量: 790.481
• InChiKey: KQOTZEXPMCZGBS-UHFFFAOYSA-J

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

• 作为产物：
  描述：

  Ga(acac)₃ 、 N1-(2-(bis(2-(3-hydroxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxamido)ethyl)amino)ethyl)-2,3-dihydroxy-N4-(2-methoxyethyl)terephthalamide hydrochloride 、 potassium hydroxide 以 甲醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Terephthalamide-Containing Analogues of TREN-Me-3,2-HOPO

  摘要：

  A series of terephthalamide-containing analogues based on TREN-Me-3,2-HOPO have been prepared. These analogues contain one, two, or three bidentate 2,3-dihydroxyterephthalamide (TAM) units in place of the 3,2-hydroxypyridinone (HOPO) units on the parent hexadentate ligand. One representative ligand in the series, TRENHOPOTAM(2), and its gallium complex have been structurally characterized by X-ray diffraction. TRENHOPOTAM2 crystallizes in the monoclinic space group P2(1)/c with cell parameters a = 16.0340(17) angstrom, b = 17.0609(18) angstrom, c = 16.0695(17) angstrom, beta = 113.837(2)degrees, and Z = 4. Ga[TRENHOPOTAM(2)] also crystallizes in the monoclinic space group P2(1)/c, with cell parameters a = 16.3379(14) angstrom, b = 15.2722(13) angstrom, c = 19.4397(17) angstrom, beta = 91.656(2)degrees, and Z = 4. The conformation of the TRENHOPOTAM2 ligand structure suggests that the ligand is predisposed for metal ion binding. The aqueous protonation and ferric ion coordination chemistry of all ligands in the series were examined using potentiometric and spectrophotometric methods, giving log formation constants of 34.6(2) (beta(110)) and 38.8(2) (beta(111)) for the ferric TRENHOPO(2)TAM complexes, 41.0(3) (beta(110)) and 45.4(3) (beta(111)) for the ferric TRENHOPOTAM(2) complexes, and 45.2(2) (beta(110)) and 50.9(2) (beta(111)) for the ferric TRENTAM(3) complexes. These thermodynamic data confirm that adding terephthalamide units to a hydroxypyridinone-containing ligand tends to increase the stability of the resulting iron complex. The ferric TRENTAM(3) complex is one of the most stable iron complexes yet reported.

  DOI：

  10.1021/ic0512882