Pd2(1-(p-toluenesulfonyl)cytosine-N3,N4(1-))2Cl2(DMSO)2 | 1159258-19-1

• 英文名称: Pd2(1-(p-toluenesulfonyl)cytosine-N3,N4(1-))2Cl2(DMSO)2
• CAS: 1159258-19-1
• 化学式: C₂₆H₃₂Cl₂N₆O₈Pd₂S₄
• 分子量: 968.585
• InChiKey: SBFWJWJLVKSBGZ-UHFFFAOYSA-J

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：

  N‐1‐tosylcytosine 以 甲醇 为溶剂， 生成 Pd2(1-(p-toluenesulfonyl)cytosine-N3,N4(1-))2Cl2(DMSO)2
  参考文献：
  名称：

  Stabilization of the N-1-substituted cytosinate iminooxo form in dinuclear palladium complexes

  摘要：

  The synthesis, as well as chemical and structural characterization, of 1-(p-toluenesulfony)cytosine (1) and its dinuclear complexes Of the composition Pd-2(1-TosC(-)-N3,N4)(4) (3) and Pd-2(1-TosC-N3,N4)(2)DMSO2Cl2 (4) by means of ESI-MS, IR, H-1 NMR and X-ray single crystal analysis are described. Ligand 1 exists in the preferred amintooxo tautomeric form, while both dinuclear complexes reveal the presence of the iminooxo form of the ligand, where 1-TosC(-) stands for the anion of the cytosine derivative of 1, bridging two palladium atoms. Complex 3 has a paddlewheel structure with two square-planar coordination spheres, consisting of four N atoms each, mutually parallel and perpendicular to the interpalladium vector. Complex 4 is characterized by two mutually parallel square-planar coordination spheres consisting of two nitrogens, sulfur from the solvent molecule and a chloride. A feasible chemical route for the formation of 3 and 4 via the kinetically favoured mononuclear complex Pd(1-TosC-N3)(2)Cl-2 (2) is proposed, based on the IR, H-1 NMR, mass spectrometry, elemental analysis and X-ray structure analysis data. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.01.043