tricarbonyl(1,4-di(trimethylsilyl)benzothiophene)chromium | 698363-99-4

• 英文名称: tricarbonyl(1,4-di(trimethylsilyl)benzothiophene)chromium
• CAS: 698363-99-4
• 化学式: C₂₁H₂₄CrO₃SSi₂
• 分子量: 464.653
• InChiKey: FTJIZXVDBKHQSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  正丁基锂 、 三甲基氯硅烷 、 dibenzo[b,d]thiophene tricarbonyl chromium 在 TMEDA 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以75%的产率得到tricarbonyl(1,4-di(trimethylsilyl)benzothiophene)chromium
  参考文献：
  名称：

  摘要：

  The complex formation of dibenzothiophene with chromium carbonyl complexes of the general formula L3Cr(CO)(3) (L = Py, NH3, or CO) afforded eta(6)-C12H8Cr(CO)(3) (1). In the presence of tetramethylethylenediamine, complex I was selectively metallated with BuLi at position 4 of the coordinated ring to form eta(6)-4-LiC12H8SCr(CO)(3) (2). In decane, the tricarbonylchromium group is reversibly and intramolecularly migrates from the unsubstituted to Substituted ring due to the inter-ring haptotropic rearrangement (IRHR) at 130degreesC for 100 h. In decane, the rate constant of IRHR was estimated experimentally by H-1 NMR spectroscopy and theoretically by the density functional theory (DFT).

  DOI：

  10.1023/a:1025645126414