hexahydroxytris((2-methyl-3,4-dioxocyclobut-1-en-1-yl)oxy)lanthanum hydrate | 331716-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: hexahydroxytris((2-methyl-3,4-dioxocyclobut-1-en-1-yl)oxy)lanthanum hydrate
• CAS: 331716-59-7
• 化学式: C₁₅H₂₁LaO₁₅*H₂O
• 分子量: 598.244
• InChiKey: YRRYUQFFWGERHW-UHFFFAOYSA-K

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：

  lanthanum(III) nitrate hexahydrate 、 3-Hydroxy-4-methyl-3-cyclobutene-1,2-dione 以 丙醇 为溶剂， 以13%的产率得到hexahydroxytris((2-methyl-3,4-dioxocyclobut-1-en-1-yl)oxy)lanthanum hydrate
  参考文献：
  名称：

  Lanthanide(III) Methylsquarates:  Synthesis and X-ray Structures

  摘要：

  Reaction of 3-methyl-4-hydroxycyclobut-3-ene-1,2-dione (methylsquarate) with LaCl3. 7H(2)O and M(NO3)(3). xH(2)O (M = Eu, Gd, and Tb) in alcoholic solutions afforded the polymeric complexes {La[mu (3)-(CH3C4O3)][(H-2)(6)]- [Cl-2].H2O}(n) (1), {Eu[mu-(CH3C4O3)(3)][(H2O)(2)]}(n) (3), {Gd[mu-(CH3C4O3)(2)][(H2O)(4)][NO3].H2O}(n) (4), and {Tb[mu-(CH3C4O3)(2)][(H2O)(4)] [NO3].H2O}(n) (5), respectively and with La(NO3)(3 .)6H(2)O, the monomer La(CH3C4O3)(3)(H2O)(6). H2O (2). Complex 1 crystallizes in the orthorhombic space group Pca2(1), with a = 13.239(2) Angstrom, b = 7.836(1) Angstrom, c = 14.209(2) Angstrom, and Z = 4. The lanthanum atom is nine-coordinate adopting a monocapped square antiprismatic geometry, being bonded to three mu (3)-bridging methylsquarate and six pendant aqua ligands and forming cationic polymer sheets which an intercalated by chloride ions and water of crystallization. Complex 3 is a 3-dimensional neutral network polymer in which the methylsquarate ligands are mu -1,3-bridging and the europium atoms adopt a bicapped trigonal prismatic geometry. 3 crystallizes in the orthorhombic space group Pbna with a = 8.713(1) Angstrom, b = 13.115(1) Angstrom, c = 15.253(1) Angstrom, and Z = 4. The gadolinium and terbium complexes, 4 and 5, are isomorphous cationic sheet polymers with the methylsquarate ligand again adopting a mu -1,3-bridging role and with the metal having square antiprismatic geometry. Adjacent sheets are arranged so as to form channels within which the nitrate anions and water molecules are located. Complex 4 crystallizes in the monoclinic space group P2(1)/c, with a = 14.543(2) Angstrom, b = 8.396(1) Angstrom, c 15.251(2) Angstrom, beta = 109.37(1)degrees, and Z = 4. The monomer 2 crystallizes in the space group P2(1)/c with a = 10.438(2) Angstrom, b = 14.813(2) Angstrom, c = 15.151(2) Angstrom, beta = 108.21(1)degrees, and Z = 4. The lanthanum atom is nine-coordinate adopting a monocapped square antiprismatic geometry with each metal atom being coordinated to three methylsquarate and six aqua ligands. In all of the polymeric species there is a pattern of delocalization which extends to include adjacent metal centers.

  DOI：

  10.1021/ic000989q