[(cymene)Ru(η(4)-C4Me4S-2-NH2)]BF4 | 167566-05-4

• 英文名称: [(cymene)Ru(η(4)-C4Me4S-2-NH2)]BF4
• CAS: 167566-05-4
• 化学式: BF₄*C₁₈H₂₈NRuS
• 分子量: 478.368
• InChiKey: VFJOGVRGZHYUCA-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：

  、 氨 以 乙腈 为溶剂， 以86%的产率得到[(cymene)Ru(η(4)-C4Me4S-2-NH2)]BF4
  参考文献：
  名称：

  阳离子钌噻吩配合物的氨解

  摘要：

  Dicationic sandwich complexes containing thiophene, 2-methylthiophene, 2,5-dimethylthiophene, and tetramethylthiophene react with ammonia to give salts of the formula [(ring)Ru(SC(4)R(4)NH(2))]X where ring = C(6)Me(6) or cymene. The thiophene, 2-methylthiophene, and 2,5-dimethylthiophene complexes undergo C-S cleavage to give iminium-thiolato derivatives. In the case of the 2,5-dimethylthiophene complex, a kinetic isomer was isolated which slowly isomerized to a thermodynamic isomer. The ammonia adducts of the tetramethylthiophene complexes [(cymene)Ru(C(4)Me(4)S)](2+) and [(C(5)Me(5))Rh(C(4)Me(4)S)](2+) do not undergo C-S cleavage. These 2-NH(2)C(4)Me(4)S complexes react with protic acids to regenerate the starting dication [(ring)M(C(4)Me(4)S)](2+). The aniline adducts of thiophene, 2-methylthiophene, and 2,5-dimethylthiophene are similar to the ammonia derivatives. The structures of the kinetic isomer of [(C(6)Me(6))Ru(SC(3)H(2)MeCHNHPh)]PF6 and the thermodynamic isomer of [(cymene)Ru(SC(3)H(2)MeCMeNHPh)]OTf were established by single-crystal X-ray diffraction. The crystallographic study proves that the isomerization in this family of compounds arises from the relative configuration at the terminal carbon of the alkenyl thiolate ligand. Bond distance data indicate an interaction between the iminium carbon center and the Ru atom in the kinetic isomer.

  DOI：

  10.1021/om00006a042