[CpMn(CO)2(C(OEt)(3,6-dimethylthieno[3,2-b]thiophene))] | 1391138-50-3

• 英文名称: [CpMn(CO)2(C(OEt)(3,6-dimethylthieno[3,2-b]thiophene))]
• CAS: 1391138-50-3
• 化学式: C₁₈H₁₇MnO₃S₂
• 分子量: 400.401
• InChiKey: YORWPPBQVLWOMF-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：

  3,6-dimethylthieno[3,2-b]thiophene 、 三羰基(η-环戊二烯基)合锰 、 triethyloxonium fluoroborate 在 (CH₃)2NCH₂CH₂N(CH₃)2 、 CH₃CH₂CH₂CH₂Li 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 以27%的产率得到[CpMn(CO)2(C(OEt)(3,6-dimethylthieno[3,2-b]thiophene))]
  参考文献：
  名称：

  Conformation of a MnCp(CO)2-thienothiophene carbene complex: A spectroscopic and computational study

  摘要：

  The carbene complex [MnCp(CO)(2)C(OEt)(TT)], (TT = 3,6-dimethylthieno[3,2-b]thiophene) 1, was synthesized according to the classical Fischer method. The novel complex was fully characterized using various spectroscopic techniques. The infrared spectrum of the complex, recorded as a solution in dichloromethane, revealed a four-band spectrum in the carbonyl region instead of the expected two-band spectrum. A density functional theory (DFT) study was undertaken to explain the presence of more than one conformer in solution. The crystal structure of 1 is reported. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.04.047