(CrCl(Al(OCH(CH3)2)4)2)(tetrahydrofurane) | 462657-69-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (CrCl(Al(OCH(CH3)2)4)2)(tetrahydrofurane)
• 英文别名: chlorochromium(2+);oxolane;propan-2-olate;tri(propan-2-yloxy)alumane
• CAS: 462657-69-8
• 化学式: C₂₈H₆₄Al₂ClCrO₉
• 分子量: 686.223
• InChiKey: YQHLYNMJNLVMOK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (CrCl(Al(OCH(CH3)2)4)2)(tetrahydrofurane) 以 neat (no solvent) 为溶剂， 生成 tris(isopropoxoaluminato)chromium
  参考文献：
  名称：

  Synthesis and Physico‐Chemical Studies of New Types of Heteroleptic Isopropoxometallates of Chromium(III)

  摘要：

  Novel heterobimetallic isopropoxides of chromium(III) of the types: {CrCl2[Al(OPr-i)(4)](THF)(2)} (1a), {CrCl[Al(OPr-i)(4)](2)(THF)} (1b), {CrCl-[Ga(OPr-i)(4)](2)(THF)} (1c), {CrCl[Al(OPr-i)(6)](2)(THF)} (1d), {CrCl2-[Zr-2(OPr-i)(9)]} (1e), {CrCl2[Sn-2(OPr-i)(9)]) (1f), and {CrCl[Zr-2(OPr-i)(9)](2)} (1g) have been prepared by the reactions of CrCl3.3THF in the required molar ratios with a variety of potassium alkoxometallates in tetrahydrofuran (THF) or benzene. Heteropenta-and hexanuclear complexes, (Cr[Zr-2(OPr-i)(9)](2)[Al(OPr-i)(4)]} (2) and {Cr[Zr-2(OPr-i)(9)](2)[Al(OPr-i)(4)]} (3), were obtained by the interactions of a chloro(isopropoxometallato)chromium(III) complex with an appropriate potassium isopropoxometallate in the desired molar ratios in benzene. Elemental analyses and molecular weight measurements of these interesting coordination compounds are consistent with the formulations depicted above. Electronic spectroscopic and magnetic susceptibility data support an octahedral environment around chromium(III).

  DOI：

  10.1081/sim-120021645
• 作为产物：
  描述：

  trichlorotritetrahydrofuran chromium(III) 、 potassium tetraisopropoxyaluminate 以 苯 为溶剂， 以96%的产率得到(CrCl(Al(OCH(CH3)2)4)2)(tetrahydrofurane)
  参考文献：
  名称：

  Synthesis and Physico‐Chemical Studies of New Types of Heteroleptic Isopropoxometallates of Chromium(III)

  摘要：

  Novel heterobimetallic isopropoxides of chromium(III) of the types: {CrCl2[Al(OPr-i)(4)](THF)(2)} (1a), {CrCl[Al(OPr-i)(4)](2)(THF)} (1b), {CrCl-[Ga(OPr-i)(4)](2)(THF)} (1c), {CrCl[Al(OPr-i)(6)](2)(THF)} (1d), {CrCl2-[Zr-2(OPr-i)(9)]} (1e), {CrCl2[Sn-2(OPr-i)(9)]) (1f), and {CrCl[Zr-2(OPr-i)(9)](2)} (1g) have been prepared by the reactions of CrCl3.3THF in the required molar ratios with a variety of potassium alkoxometallates in tetrahydrofuran (THF) or benzene. Heteropenta-and hexanuclear complexes, (Cr[Zr-2(OPr-i)(9)](2)[Al(OPr-i)(4)]} (2) and {Cr[Zr-2(OPr-i)(9)](2)[Al(OPr-i)(4)]} (3), were obtained by the interactions of a chloro(isopropoxometallato)chromium(III) complex with an appropriate potassium isopropoxometallate in the desired molar ratios in benzene. Elemental analyses and molecular weight measurements of these interesting coordination compounds are consistent with the formulations depicted above. Electronic spectroscopic and magnetic susceptibility data support an octahedral environment around chromium(III).

  DOI：

  10.1081/sim-120021645