4-ethylpyridinium [trans-RuCl₄(dimethylsulfoxide-S)(4-ethylpyridine)] | 185138-74-3

• 英文名称: 4-ethylpyridinium [trans-RuCl₄(dimethylsulfoxide-S)(4-ethylpyridine)]
• 英文别名: 4-ethylpyridinium trans-(4-ethylpyridine)(dimethyl sulfoxide)tetrachlororuthenate
• CAS: 185138-74-3
• 化学式: C₇H₉N*C₉H₁₅Cl₄NORuS*H
• 分子量: 536.335
• InChiKey: QWYHSJCLXSGIOE-UHFFFAOYSA-K

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

• 作为产物：
  描述：

  4-乙基吡啶 、 [(dimethyl sulfoxide)2H][trans-RuCl4(dimethyl sulfoxide)2] 以 二甲基亚砜 、 丙酮 为溶剂， 生成 4-ethylpyridinium [trans-RuCl₄(dimethylsulfoxide-S)(4-ethylpyridine)]
  参考文献：
  名称：

  Synthesis and crystal structure of new Ru(III)-sulfoxide complexes containing a planar N-ligand: mer,cis-RuCl3(1Me-Im)2(S-DMSO) and [4Et-PyH][trans-RuCl4(4Et-Py)(S-DMSO)]

  摘要：

  The title compounds, mer-trichloro-cis-bis(1-methylimidazole) dimethyl sulfoxideruthenium(III) (1) and 4-ethylpyridinium trans-(4-ethylpyridine) (dimethyl sulfoxide) tetrachlororuthenate(III) (2) have been synthesized and structurally characterized. Crystals of 1 [RuCl3(C4H6N2)(2)(C2H6OS)]. 0.5(C3H6O) are monoclinic, space group P2/c with a=16.836(9), b=8.646(3), c=14.017(7) Angstrom, beta=110.19(2)degrees, Z=4. Crystals of 2 [RuCl4(C7H9N)(C2H6OS)][C7H10N] are monoclinic, space group P2(1)/n with a=7.996(1), b=11.670(1), c=23.979(3) Angstrom, beta=98.39(1)degrees, Z=4. The sulfoxide ligands are S-bonded and trans to the N-planar ligands in both Ru(III) complexes. The two 1Me-Im ligands in 1 are cis to each other and the arrangement is such that its B/B' interbase dihedral angle is 65.6 degrees. B/RuI4 and B'/RuL(4) dihedral angles are 26.8 and 66.8 degrees, respectively. The 4Et-Py plane in 2 bisects the Cl-Ru-Cl bond angles. The conformation of the planar N-ligand observed in the X-ray structures is discussed in terms of an interaction between the ligands.

  DOI：

  10.1016/s0020-1693(96)05016-5

文献信息

• Importance of Hydrogen Bonding: Structure–Activity Relationships of Ruthenium(III) Complexes with Pyridine-Based Ligands for Alzheimer’s Disease Therapy
  作者：Brendan J. Wall、Mark F. Will、Gideon K. Yawson、Paige J. Bothwell、David C. Platt、C. Fiore Apuzzo、Marjorie A. Jones、Gregory M. Ferrence、Michael I. Webb

  DOI：10.1021/acs.jmedchem.1c00360

  日期：2021.7.22