[(Cd(N-(2-pyridylmethyl)-N-(2-(methylthio)ethyl)-N-(2-thioethyl)-amine(-1H)))₆(μ₃-CO₃)₂]²⁺ | 1422012-68-7

• 英文名称: [(Cd(N-(2-pyridylmethyl)-N-(2-(methylthio)ethyl)-N-(2-thioethyl)-amine(-1H)))₆(μ₃-CO₃)₂]²⁺
• CAS: 1422012-68-7
• 化学式: C₆₈H₁₀₂Cd₆N₁₂O₆S₁₂
• 分子量: 2242.89
• InChiKey: MJUHKHZZZPIFEK-UHFFFAOYSA-D

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：

  cadmium(II) perchlorate hexahydrate 、 二氧化碳 、 N-(2-pyridylmethyl)-N-(2-(methylthio)ethyl)-N-(2-thioethyl)-amine 在 三乙胺 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 反应 1.08h， 生成 [(Cd(N-(2-pyridylmethyl)-N-(2-(methylthio)ethyl)-N-(2-thioethyl)-amine(-1H)))₆(μ₃-CO₃)₂]²⁺
  参考文献：
  名称：

  Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle

  摘要：

  In the presence of Cd(ClO4)(2) and a base, a new mixed N,S-donor alkylthiolate ligand supported both carbonate formation from atmospheric CO2 and the self-assembly of a novel bicapped puckered (CdS)(6) molecular wheel. The remarkable stability of the complex was demonstrated by slow intermolecular ligand exchange on the (2)J(HH) and J((CdH)-Cd-111/113-H-1) time scales at elevated temperature. Both CO2 and the base were required to convert amorphous "CdLClO4" precipitated in the absence of air to the carbonate complex. The complex shares structural features with the zeta-carbonic anhydrase class associating cadmium(II) with the biogeochemical cycling of carbon and is the first structurally characterized carbonate complex of any metal involving an alkylthiolate ligand.

  DOI：

  10.1021/ic302740j