[(triphos)Ru(η(4)-S(C6H4)CHCH3)] | 207849-96-5

• 英文名称: [(triphos)Ru(η(4)-S(C6H4)CHCH3)]
• CAS: 207849-96-5
• 化学式: C₄₉H₄₇P₃RuS
• 分子量: 861.969
• InChiKey: DTFIFIKFFYEPAE-LZGIEYLGSA-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：

  [(triphos)Ru(H)(tetrahydridoborate)] 、 borane tetrahydrofuran 、 苯并噻吩 以0%的产率得到[(triphos)Ru(η(4)-S(C6H4)CHCH3)]
  参考文献：
  名称：

  C−S Bond Cleavage of Benzo[b]thiophene at Ruthenium

  摘要：

  The ruthenium(II) (tetrahyaroborate)hydride complex [(triphos)RuH(BH4)] (1) reacts with benzo[b]thiophene (BT) in THF at 40 degrees C yielding, after 3 h, a mixture of four different compounds: [(triphos)RuH{BH3(o-S(C6H4)CH2CH3)}] (2), [(triphos)Ru{eta(4)-S(C6H4)CH(CH3)}] (3), [(triphos)RuH(mu-S(C6H4)CH2CH3)(2)HRu(triphos)] (4), and [(triphos)RuH(mu-BH4)HRu(triphos)](+) (5(+)) (triphos = MeC(CH2PPh2)(3)). After two further hours of reaction, 3 disappears and is completely converted to 4. Further heating at 40 degrees C does not change the product composition (2, 4, and 5(+) in a 4:1.3:3 ratio). A variety of independent reactions with isolated compounds have been performed with the aim of elucidating the mechanism of the C-S insertion/hydrogenation of BT to the 2-ethylthiophenolate ligand. The mu-thiolate complex 4 reacts in THF with dihydrogen (greater than or equal to 160 degrees C, 30 bar H-2) or with HBF4 . OEt2 (20 degrees C) yielding ethylbenzene and 2-ethylthiophenol, respectively. No reaction occurs with LiHBEt3. All of the reactions and new complexes reported have been studied by multinuclear NMR spectroscopy. An X-ray analysis has been carried out on a single crystal of 2.

  DOI：

  10.1021/om980051t