triaquatris(isothiocyanato)gallium(III) - 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1) | 1107065-40-6

• 英文名称: triaquatris(isothiocyanato)gallium(III) - 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)
• CAS: 1107065-40-6
• 化学式: C₃H₆GaN₃O₃S₃*C₁₂H₂₄O₆
• 分子量: 562.339
• InChiKey: WRAFBDZVVKFPCV-UHFFFAOYSA-N

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：
  None

反应信息

• 作为产物：
  描述：

  18-冠醚-6 、 水 、 氯化镓 、 potassium thioacyanate 以 甲醇 、 乙醇 为溶剂， 以15.5%的产率得到triaquatris(isothiocyanato)gallium(III) - 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)
  参考文献：
  名称：

  Aggregates of the [GaCl4]− anion and the [Ga(H2O)3(NCS)3] complex with 18C6

  摘要：

  The complex formation in the system GaCl3-ROH-MNCS-18K6 is considered (ROH = MeOH, EtOH; M = Na, K; 18C6 is 1,4,7,10,13,16-hexaoxocyclooctadecane). Two modifications of [Na(18C6)][GaCl4], namely, aggregates [Na(18C6)][GaCl4](MeOH)(0.9)(EtOH)(1.1) and [Ga(H2O)(3)(NCS)(3)] center dot 18C6, are synthesized and identified. The Ga-71 NMR (solutions) and X-ray diffraction studies showed that the compositions and structures of the title compounds are determined by the ratio of the competing acido ligands (Cl- and NCS-) in the reaction solution.

  DOI：

  10.1134/s1070328407100041