1,3-bis(3,5-dichlorosalicylideneamino)-2-propanol | 649553-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-bis(3,5-dichlorosalicylideneamino)-2-propanol
• 英文别名: 2,4-Dichloro-6-[[3-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxypropyl]iminomethyl]phenol
• CAS: 649553-58-2
• 化学式: C₁₇H₁₄Cl₄N₂O₃
• 分子量: 436.122
• InChiKey: DKUOVKSIBRKVKR-UHFFFAOYSA-N

物化性质

• 熔点：
  185 °C(Solv: N,N-dimethylformamide (68-12-2); isopropanol (67-63-0))
• 沸点：
  579.2±50.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  85.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,3-bis(3,5-dichlorosalicylideneamino)-2-propanol 、 copper diacetate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  含不对称交换片段的双核铜螯合物的合成和理化研究

  摘要：

  首次合成了一系列包含不对称交换片段的新型双核铜（II）螯合物。配体是水杨醛衍生物与1，3-二氨基丙-2-醇或碳酰肼缩合的产物。所得配合物的组成和结构通过元素分析，IR和1 H NMR光谱以及磁化学证明。根据各向同性交换HDVV模型确定反铁磁交换参数2 J。 讨论了交换通道对这些参数的结构影响。

  DOI：

  10.1007/s11173-005-0103-5

文献信息

• Lukov; Kogan; Tupolova, Russian Journal of Inorganic Chemistry, 2004, vol. 49, # 12, p. 1849 - 1855
  作者：Lukov、Kogan、Tupolova、Popov、Gevorkyan、Tkachev、Shilov、Makitova

  DOI：——

  日期：——
• Magnetostructural correlations and catecholase-like activities of μ-alkoxo-μ-carboxylato double bridged dinuclear and tetranuclear copper(II) complexes
  作者：Chi-Huang Weng、Sung-Chung Cheng、Han-Ming Wei、Ho-Hsiang Wei、Chin-Jhan Lee

  DOI：10.1016/j.ica.2005.12.047

  日期：2006.4

  Two mu-alkoxo-mu-carboxylato bridged dinuclear copper(II) complexes, [Cu-2(L-1)(mu-HCO2)] (1) ((H3L1 = 1,3-bis(5-bromosalicylideneamino)-2-propanol)), [Cu-2(L-2)(mu-HCO2)] (.) dmf (2) (H3L2 = 1,3-bis(3,5-chlorosalicylideneamino-2-propanol)), and two mu-alkoxo-p-dicarboxylato doubly bridged tetranuclear copper(II) complexes, [Cu-2(L-3)}(2)(mu-O2CCH2(CH3)(2)-CO2) (.) 5H(2)O (.) 3CH(3)OH (3) ((H3L3 = 1,3-bis(salicylid-deneamino)-2-propanol)) and [Cu-2(L-3)}(2)(mu- O2CCH2-C6H4-CH2CO2)] (.) 2H(2)O (4) have been prepared and characterized. The single crystal X-ray analysis shows that the structures of complexes 1 and 2 are dimeric with two adjacent copper(II) atoms bridged by mu-alkoxo-mu-carboxylato ligands with the (CuCu)-Cu-... distances and Cu-O(alkoxo)-Cu angles are 3.511 angstrom and 132.85 degrees for 1, 3.517 angstrom and 131.7 degrees for 2, respectively. Complexes 3 and 4 consist of mu-alkoxo-mu-dicarboxylato doubly bridged tetranuclear Cu(11) complexes with mean Cu-Cu distances and Cu-O-Cu angles of 3.158 angstrom and 108.05 degrees for 3 and 3.081 angstrom and 104.76 degrees for 4, respectively. Magnetic measurements reveal that I and 2 are strong antiferromagnetically coupled with 2J = -156 and -152 cm-1, respectively, while 3 and 4 exhibit ferromagnetic coupling with 2J = 86 and 155.2 cm(-1), respectively. The 2J values of 1-4 are linearly correlated to the Cu-O-Cu angles. Dependence of the pH at 25 degrees C on the reaction rate of oxidation of 3,4-di-tert-butylcatechol (3,5-dtbc) to the corresponding quinone catalyzed by 1-4 was studied. Complexes 1-4 exhibit high catecholase-like activity at pH 9.0 and 25 degrees C for oxidation of 3,5-di-tertbutylcatechol. (c) 2006 Elsevier B.V. All rights reserved.