| 237737-83-6

• CAS: 237737-83-6
• 化学式: C₁₂H₂₄O₄Zn*Cl₄Zn
• 分子量: 504.912
• InChiKey: BGFURJYRRVVECW-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  二丙酮醇 、 zinc(II) chloride 以 乙酸乙酯 为溶剂， 生成
  参考文献：
  名称：

  Diacetonalkohol als Komplexligand. Die Kristallstrukturen von [MnBr2{O=C(Me)CH2-C(Me)2OH}2] und [M{O=C(Me)CH2-C(Me)2OH}2][MCl4] mit M = Fe, Co und Zn

  摘要：

  The metal halides MnBr2 and MCl2 (M = Fe, Co, Zn) react with diacetone alcohol (4-hydroxy-4-methyl-2-pentanon) forming the title compounds, which are characterized by IR spectroscopy and crystal structure analyses.[MnBr2{O=C(Me)CH2-C(Me-2)OH}(2)] (1): Space group C2/c, Z = 4, lattice dimensions at 293 K: a = 1189.2(4), b = 1317.2(3), c = 1200.0(3) pm, beta=102.25(3)degrees, R-1 = 0.0256. In 1 the manganese atom is coordinated in a distorted octahedral fashion by the two cis bromine atoms and by the four oxygen atoms of the two diacetone alcohol chelating molecules. The distances Mn-[OH] (223.8 pm) and Mn-[O=C] (222.1 pm) are only slightly different.[M{O=C(Me)CH2C(Me)(2)OH}(2)] [MCl4] [M = Fe (2), Co (3), Zn (4)]: 2 and 3 crystallize isotypically with each other in the space group Pc, Z = 4. Lattice dimensions for 2 at 293 K: a = 865.8(3), b = 926.3(2), c = 1401.5(1)pm, beta = 104.19(2)degrees, R-1 = 0.0421. Lattice dimensions for 3 at 293 K: a = 872.3(1), b = 925.7(1), c = 1394.2(3)pm, beta = 104.79(2)degrees, R-1=0.0481. As in 1, the metal atoms of the [M{O=C(Me) CH2-C(Me)(2)OH}(2)](2+) ions in 2 and 3 are chelated in a distorted octahedral fashion by two diacetone alcohol molecules and associated cis via two mu-Cl atoms of the [MCl4](2-) anions to form strands.[Zn{O=C(Me)CH2-C(Me)(2)OH}(2)] [ZnCl4] (4): Space group C2/c, Z = 4. Lattice dimensions at 213 K: a = 1582.27(13), b = 1356.15(13), c = 941.93(7) pm, beta = 107.283(10)degrees, R-1 = 0.0328. The zinc atom of the dication in 4 is associated in a distorted octahedral fashion by the two diacetone alcohol chelating molecules in the equatorial positions and trans by two mu-Cl atoms of the [ZnCl4](2-) ions to form strands.

  DOI：

  10.1002/(sici)1521-3749(199907)625:7<1101::aid-zaac1101>3.0.co;2-e