[N(n-Bu)4][(cyclopentyl)7Si7O12FeCl] | 577977-16-3

• 英文名称: [N(n-Bu)4][(cyclopentyl)7Si7O12FeCl]
• CAS: 577977-16-3
• 化学式: C₁₆H₃₆N*C₃₅H₆₃ClFeO₁₂Si₇
• 分子量: 1206.25
• InChiKey: LGUGPHYVLGCUPN-SWECHFTRSA-M

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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  N-乙酰基-L-半胱氨酸甲酯 、 [N(n-Bu)4][(cyclopentyl)7Si7O12FeCl] 在 triethyl amine 作用下， 以 甲苯 为溶剂， 以45%的产率得到[N(n-Bu)4][(cyclopentyl)7Si7O12Fe(SCH2CH(NHCOMe)CO2Me)]
  参考文献：
  名称：

  New Fe(III) and Os(VI) silsesquioxanes

  摘要：

  The high-spin iron(III) silsesquioxane complexes [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12FeCl] and [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe(O-SiMe3)] result from the reaction of (cyclo-C5H9)(7)Si7O9(OH)(3) with either [N(Bu-n)(4)][FeCl4] or [N(Bu-n)(4)][Fe(O-SiMe3)(4)], Substitution of the terminal chloride or (trimethyl)silanolate ligands with tert-butoxide produces [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe(OCMe3)]. Similar substitution reactions with the methyl ester of N-acetylcysteine produce [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe{SCH2CH(NH-COCH3)CO2Me}]. A dimeric complex, [(cyclo-C5H9)(7)Si7O12Fe(NEt3)](2), forms in the reaction of (cyclo-C5H9)(7)Si7O9(OH)(3) with NEt3 and FeCl3. The reaction between (cyclo-C5H9)(7)Si7O9(OH)(2)(OSiMe3) and [Ph4P][Os(N)Cl-4] forms [PPh4][(cyclo-C5H9)(7)Si7O11(OSiMe3)Os(N)Cl-2], a square-pyramidal Os(VI) complex with a bidentate siloxy ligand. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01346-4
• 作为产物：
  描述：

  tetrabutylammonium tetrachloroferrate(III) 、 1,3,5,7,9,11,14-heptacyclopentyltricyclo[7.3.3.15,11]heptasiloxane-endo-3,7,14-triol 在 triethyl amine 作用下， 以 甲苯 为溶剂， 以58%的产率得到[N(n-Bu)4][(cyclopentyl)7Si7O12FeCl]
  参考文献：
  名称：

  New Fe(III) and Os(VI) silsesquioxanes

  摘要：

  The high-spin iron(III) silsesquioxane complexes [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12FeCl] and [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe(O-SiMe3)] result from the reaction of (cyclo-C5H9)(7)Si7O9(OH)(3) with either [N(Bu-n)(4)][FeCl4] or [N(Bu-n)(4)][Fe(O-SiMe3)(4)], Substitution of the terminal chloride or (trimethyl)silanolate ligands with tert-butoxide produces [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe(OCMe3)]. Similar substitution reactions with the methyl ester of N-acetylcysteine produce [N(Bu-n)(4)][(cyclo-C5H9)(7)Si7O12Fe{SCH2CH(NH-COCH3)CO2Me}]. A dimeric complex, [(cyclo-C5H9)(7)Si7O12Fe(NEt3)](2), forms in the reaction of (cyclo-C5H9)(7)Si7O9(OH)(3) with NEt3 and FeCl3. The reaction between (cyclo-C5H9)(7)Si7O9(OH)(2)(OSiMe3) and [Ph4P][Os(N)Cl-4] forms [PPh4][(cyclo-C5H9)(7)Si7O11(OSiMe3)Os(N)Cl-2], a square-pyramidal Os(VI) complex with a bidentate siloxy ligand. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01346-4

文献信息

• Aerobic oxidation of tetrahydrofuran by a series of iron (III) containing POSS compounds
  作者：Michael T. Hay、Steven J. Geib、Derek A. Pettner

  DOI：10.1016/j.poly.2009.04.014

  日期：2009.7

  A series of iron (III) containing POSS compounds, [Bu4N][(R)(7)Si7O12FeCl] (R = isobutyl- (1), ethyl- (2), phenyl- (3), and cyclopentyl- (4)) were investigated as potential catalysts for aerobic oxidation of tetrahydrofuran (THF). The oxidation products for this reaction were characterized by IR, GC and GC-MS. The major oxidation product was gamma-butyrolactone (C4H6O2, GBL): while the two minor products were 2-hydroxy-THF and its tautomer, 4-hydroxybutanal. A third minor oxidative product is believed to be an isomer of clihydroxy-THF. THF free syntheses of 2-4 have been developed and all three compounds were characterized by elemental analysis, IR, and X-ray diffraction studies. The crystallographic data for 1-4 demonstrate a similar iron coordination sphere between the four compounds, but the different substitutents on the various POSS. The corresponding turnover numbers for the aerobic oxidation of THF Suggest that smaller substitutents on the POSS ligands improve the stability of the catalytic species. When compared to other published catalytic iron systems, these turnover numbers appear to be the largest for the aerobic conversion of THF to GBL. (C) 2009 Elsevier Ltd. All rights reserved.