([(n-BuSn)3(μ3-O)(OC6H4-4-Br)3]2[HPO3]4) | 868851-88-1

• 英文名称: ([(n-BuSn)3(μ3-O)(OC6H4-4-Br)3]2[HPO3]4)
• CAS: 868851-88-1
• 化学式: C₆₀H₈₂Br₆O₂₀P₄Sn₆
• 分子量: 2438.88
• InChiKey: ONCWBSYRTFJCHL-UHFFFAOYSA-A

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：

  亚磷酸 、 4-溴苯酚 、 丁基锡酸 以 甲苯 为溶剂， 以13%的产率得到([(n-BuSn)3(μ3-O)(OC6H4-4-Br)3]2[HPO3]4)
  参考文献：
  名称：

  Organooxotin Cages, {[(n-BuSn)₃(μ₃-O)(OC₆H₄-4-X)₃]₂[HPO₃]₄}, X = H, Cl, Br, and I, in Double O-Capped Structures:  Halogen-Bonding-Mediated Supramolecular Formation

  摘要：

  The reaction of n-BuSn(O)(OH) with H3PO3 and HOC6H4-4-X (X = H, Cl, Br, and I) afforded the hexanuclear organooxotin cages t[(n-BuSn)(3)(mu(3)-O)(OC6H4-4-X)(3)](2)[HPO3](4)}, where X = H (1), Cl (2), Br (3), and I (4), in moderate yields. These cages possess double O-capped structures. The oxotin cages 1-4 contain two tritin motifs that are joined by four tripodal [HPO3](2-) ligands. The three tin atoms in each tritin subunit are held together by a mu(3)-capping oxygen atom. In addition three phenolate oxygen atoms act as mu(2)-bridging ligands between two tin atoms. The molecular structures of 1-4 are intimately related to other organooxotin cages such as the O-capped cluster, the drum, and the football cage. The crystal structures of 2-4 reveal intermolecular halogen-bonding-mediated [X---O (X = Cl, Br), I --- I, and I--- pi] supramolecular assemblies.

  DOI：

  10.1021/om050269x