trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) | 1107602-82-3

• 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: trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II)
• 英文别名: [Pd(hinokitiol)2]
• CAS: 1107602-82-3；148752-93-6
• 化学式: C₂₀H₂₂O₄Pd
• 分子量: 432.812
• InChiKey: BRSQPTYRDLCQGZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) 、 trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) cis-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) 以 乙醚 为溶剂， 生成 trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II) 、 trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)copper(II) trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II)
  参考文献：
  名称：

  具有（5/1）和（3/2）配方的反双（扁柏基）铜（II）反双（扁柏基）钯（II）共晶体

  摘要：

  反-双（3-异丙基-7-氧代环庚-1,3,5-三烯-1-醇）铜（II）反-双（3-异丙基-7-氧代环庚-1,3,5-三烯-1-酮（5/1）和（3/2）复合物[铜（C 10 H 11 O 2）2 ]·0.2 [Pd（C 10 H 11 O 2）2 ]和[Cu（ C 10 H 11 O 2）2 ]·0.67 [Pd（C 10 H 11 O 2）2]，其中3-异丙基-7-氧代环庚-1,3,5-三烯-1-油酸酯是扁桃酸酯阴离子（hino）的系统名称，是第一个从M x分离出的混合金属共结晶产物（日野）y配合物家族。这些共晶体包含具有晶体学反演对称性的方平面反式Cu（hino）2和反式Pd（hino）2分子。这些共晶化合物的整体配方为Cu 1- x Pd x（hino）2，其中x（5/1）乘积为0.166（4），（3/2）乘积为0.399（4）。大量制剂只是这些化合物中存在的全分子取代疾病的便捷平均表达。的中号-O键的范围是1

  DOI：

  10.1107/s0108270111007372
• 作为产物：
  描述：

  potassium tetrachloropalladate(II) 、 [Na(hinokitiol)]*2H2O 以 水 为溶剂， 以74.9%的产率得到trans-bis(3-isopropyl-7-oxocyclohepta-1,3,5-trien-1-olato)palladium(II)
  参考文献：
  名称：

  Syntheses, structures and antimicrobial activities of various metal complexes of hinokitiol

  摘要：

  Metal-oxygen bonding complexes (M = Mg-II, Mn-II, Ni-II, Mo-VI, W-VI, Pd-II, Sb-III, Bi-III, Fe-III, Ti-IV, K-I, Ba-II, Zr-IV and Hf-IV) with a hinokitiol (Hhino; 2-hydroxy-4-isopropylcyclohepta-2,4,6-trienone or beta-thujaplicin) ligand, which has two unequivalent oxygen donor atoms, were synthesized and characterized by elemental analysis, TG/DTA, FT-IR and solution (H-1 and C-13) NMR spectroscopy. Single-crystal X-ray structure analysis revealed various molecular structures for the complexes, which were classified into several families of family, i.e. type A [M-II(hino)(2)(L)](2) (M = Mg-II, Mn-II, Ni-II; L = EtOH or MeOH), with a dimeric structure consisting of one bridging hino anion, one chelating hino anion and one alcohol or water molecule, type B, with the octahedral, cis-dioxo, bis-chelate complexes cis-[(MO2)-O-VI(hino)(2)] (M= Mo-VI, W-VI), type C, with square planar complex [M-II(hino)(2)] (M= Pd-II), type D, with tris-chelate, 7-coordinate complexes with one inert electron pair [M-III(hino)(3)] (M= Sb-III, Bi-III), type D', with the bis-chelate, pseudo-6-coordinate complexes with one inert electron pair [M-III(hino)(2)X] (M = Sb-III, X = Br), type E, with tris-chelate, 6-coordinate complexes with Delta and Lambda isomers [M-III(hino)(3)] (M= Fe-III), type E' of bis-chelate, 6-coordinate complex [M-IV(hino)(2)X-2] (M = Ti-IV, X = Cl), type F, with water-soluble alkali metal salts [M-I(hino)] (M = K-I), and type H, with tetrakis-chelate, 8-coordinate complexes [M-IV(hino)(4)](M = Zr-IV, Hf-IV). These structural features were compared with those of metal complexes with a related ligand, tropolone (Htrop). The antimicrobial activities of these complexes, evaluated in terms of minimum inhibitory concentration (MIC; mu g mL(-1)) in two systems, were compared to elucidate the relationship between structure and antimicrobial activity. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.02.061