Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))(H2O)2 | 1380401-55-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))(H2O)2
• CAS: 1380401-55-7
• 化学式: C₁₆H₂₂CuO₁₁P₂
• 分子量: 515.838
• InChiKey: RSWSGLDALSWNBV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))(H2O)2 以 neat (no solvent) 为溶剂， 生成 Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))
  参考文献：
  名称：

  Synthesis, vibrational spectra, and crystal and molecular structure of copper 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane dihydrate [Cu(H2L2)(H2O)2]

  摘要：

  A new complex Cu(H2L2)(H2O)(2)] (I), where H4L2 is 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane, has been synthesized and characterized. Its molecular and crystal structure has been determined by X-ray crystallography and vibrational spectroscopy. In mononuclear complex I, the copper(II) cation is in a distorted square-planar environment of two water oxygen atoms and two oxygen atoms of the chelating dianion (H2L2)(2-). The crystals are orthorhombic, space group Cmc2(1), a = 25.909(5) , b = 9.1500(18) , c = 8.5600(17) , V = 2029.3(7) (3), Z = 4, rho(calc) = 1.688 g cm(-3), mu = 1.292 cm(-1); 3107 measured reflections, 1174 reflections with I > 2.0 sigma(I), R (int) = 0.0600, GOOF = 1.413, R (1) (I > 2 sigma(I)) = 0.0812, wR (2) (I > 2 sigma(I)) = 0.2145.

  DOI：

  10.1134/s0036023612050038
• 作为产物：
  描述：

  2,2'-[2,2'-oxybis(ethane-2,1-diyl)bis(oxy)]bis(2,1-phenylene)diphosphonic acid 、 copper dichloride 以 乙醇 为溶剂， 生成 Cu(1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane(-2H))(H2O)2
  参考文献：
  名称：

  Synthesis, vibrational spectra, and crystal and molecular structure of copper 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane dihydrate [Cu(H2L2)(H2O)2]

  摘要：

  A new complex Cu(H2L2)(H2O)(2)] (I), where H4L2 is 1,5-bis[2-(dihydroxyphosphinyl)phenoxy]-3-oxapentane, has been synthesized and characterized. Its molecular and crystal structure has been determined by X-ray crystallography and vibrational spectroscopy. In mononuclear complex I, the copper(II) cation is in a distorted square-planar environment of two water oxygen atoms and two oxygen atoms of the chelating dianion (H2L2)(2-). The crystals are orthorhombic, space group Cmc2(1), a = 25.909(5) , b = 9.1500(18) , c = 8.5600(17) , V = 2029.3(7) (3), Z = 4, rho(calc) = 1.688 g cm(-3), mu = 1.292 cm(-1); 3107 measured reflections, 1174 reflections with I > 2.0 sigma(I), R (int) = 0.0600, GOOF = 1.413, R (1) (I > 2 sigma(I)) = 0.0812, wR (2) (I > 2 sigma(I)) = 0.2145.

  DOI：

  10.1134/s0036023612050038