[CuBr(4,5-bis(diphenylphosphano)-9,9-dimethylxanthene )(N-methylbenzothiazole-2-thione)] | 1583273-25-9

• 英文名称: [CuBr(4,5-bis(diphenylphosphano)-9,9-dimethylxanthene )(N-methylbenzothiazole-2-thione)]
• 英文别名: [CuBr(xantphos)(mbtt)]
• CAS: 1583273-25-9
• 化学式: C₄₇H₃₉BrCuNOP₂S₂
• 分子量: 903.362
• InChiKey: PRICRZDDBXKPRO-UHFFFAOYSA-M

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：

  3-甲基-2(3H)-苯并噻唑硫酮 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 copper(I) bromide 以 乙腈 、 甲醇 为溶剂， 反应 4.0h， 以44%的产率得到[CuBr(4,5-bis(diphenylphosphano)-9,9-dimethylxanthene )(N-methylbenzothiazole-2-thione)]
  参考文献：
  名称：

  Mixed-ligand copper(I) halide complexes bearing 4,5-bis(diphenylphosphano)-9,9-dimethyl-xanthene and N-methylbenzothiazole-2-thione: Synthesis, structures, luminescence and antibacterial activity mediated by DNA and membrane damage

  摘要：

  The 1:1 M-ratio reaction between copper(I) bromide or iodide and 4,5-bis(diphenylphosphano)-9,9dimethyl-xanthene (xantphos) in acetonitrile results in the formation of [CuX(xantphos)] (X = Br, I), which further reacts with N-methylbenzothiazole-2-thione (mbtt) to afford the mononuclear mixedligand complexes [CuX(xantphos)(mbtt)]. The molecular structures of the complexes, established by single-crystal X-ray diffraction, feature a distorted tetrahedral geometry around the metal center, with the diphosphane acting as a chelate. The new compounds are strongly emissive in the solid state at room temperature. The complexes were also screened for antibacterial activity and their ability to interact with CT-DNA in vitro and to produce reactive oxygen species (ROS).

  DOI：

  10.1016/j.poly.2014.02.002