(fac,mer)-Fe(methylchloroglyoximato)(methyl(OH)glyoximato)2(BF)2 | 835619-17-5

• 英文名称: (fac,mer)-Fe(methylchloroglyoximato)(methyl(OH)glyoximato)2(BF)2
• CAS: 835619-17-5
• 化学式: C₉H₁₀B₂Cl₂F₂FeN₆O₇
• 分子量: 500.586
• InChiKey: VOPJWKKRIIPXAN-PQDGJJQLSA-N

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：
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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：

  [Fe(CH₃CN)₄Cl₂] 、 trifluoroborane diethyl ether 、 N-羟基-2-(羟基亚胺)丙亚氨酰氯 以 neat (no solvent) 为溶剂， 生成 (fac)-Fe(methylchloroglyoximato)3(BF)2 、 (mer)-Fe(methylchloroglyoximato)3(BF)2 、 (fac,mer)-Fe(methylchloroglyoximato)(methyl(OH)glyoximato)2(BF)2 、 (mer,mer)-Fe(methylchloroglyoximato)(methyl(OH)glyoximato)2(BF)2 、 (fac,fac)-Fe(methylchloroglyoximato)(methyl(OH)glyoximato)2(BF)2
  参考文献：
  名称：

  Template synthesis and structure of mono- and trisubstituted ribbed-functionalized iron(II) clathrochelates

  摘要：

  The template condensation of three methylchloroglyoximate molecules with phenylboronic acid and with (BF3O)-O-.(C2H5)(2) on an iron(II) ion afforded reactive trichloride phenylboron- and fluoroboron-capped precursors, respectively. The monochloride FeBd(2)(CH(3)ClGm)(BF)(2) precursor (where Bd(2-) and CH(3)ClGm(2-) are alpha-benzyldioxime and methylchloroglyoxime dianions) was synthesized by condensation of macrocyclic iron(II) alpha-benzyldioximate FeBd(2)(BF2)(2)(CH3CN)(2) with CH(3)ClGmH(2). Mono- and trifunctionalized amine, alkylsulfide, and arylsulfide clathrochelate iron(II) tris-dioximates were prepared starting from these precursors by nucleophilic substitution reactions. The complexes obtained were characterized using elemental analysis, PD mass, IR, UV-Vis, H-1, C-13 NMR, and Fe-57 Mossbauer spectra, and X-ray crystallography. An encapsulated low-spin iron(II) ion was found to have distorted trigonal-prismatic coordination N-6-environment in all clathrochelates synthesized. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.08.008