Re(CO)4[s-trans-μ-C,S-EtO2CN=CS]Re(CO)5 | 181046-35-5

• 英文名称: Re(CO)4[s-trans-μ-C,S-EtO2CN=CS]Re(CO)5
• CAS: 181046-35-5；178761-35-8
• 化学式: C₁₃H₅NO₁₁Re₂S
• 分子量: 755.663
• InChiKey: ZGIRDGYWKRDREB-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

• 作为反应物：
  描述：

  Re(CO)4[s-trans-μ-C,S-EtO2CN=CS]Re(CO)5 以 正己烷 为溶剂， 以81%的产率得到Re(CO)4[.u.-C,S,N-EtO2CN=CS]Re(CO)4
  参考文献：
  名称：

  Studies of the Insertion of an Organic Isothiocyanate into a Rhenium−Rhenium Single Bond and a New Mode of Metal-Promoted Coupling of Isothiocyanates

  摘要：

  Five new compounds were obtained from the reaction of Re-2(CO)(9)(MeCN) with EtO(2)-CN=C=S in a hexane solution at reflux (68 degrees C), These were identified as Re(CO)(4)[s-trans-mu-C,S-EtO(2)CN=CS]Re(CO)(5) (2, 7% yield), Re(CO)(4)[mu-C,S,N-EtO(2)CN=CS]Re(CO)(4) (3, 40% yield), Re(CO)(4)[mu-C,N,S-2-(EtO(2)C)(2)NC=NCS2]Re(CO)(4) (4, 17% yield), Re(CO)(4)[mu-C,N,S-2-(EtO(2)C)(2)NC=NCS2]Re(Co)(3)(NCMe) (5, 5% yield), and trace Re(CO)(4)[-C,N,S-2-(EtO(2)C)(H)-NC=NCS2]Re(CO)(4) (6), All five products have been characterized crystallographically. Compounds 2 and 3 can be described as dimetalated thioimidate complexes formed by the insertion of one EtO(2)CN=C=S molecule into the Re-Re bond of 1. Compounds 4 and 5 contain a (EtO(2)C)(2)NC=NCS2 ligand that was formed by the insertion and rearrangement of two isothiocyanate molecules in the Re-Re bond of 1. Compound 6 is similar to 5 but contains a bridging (EtO(2)C)(H)NC=NCS2 ligand instead. The reaction of Re(CO)(4)(PMe(2)Ph)Re(CO)(4)(NCMe) with EtO(2)CN=C=S yielded two isomeric products, trans-Re(CO)(4)(PMe(2)Ph)[mu-(EtO(2)C)N=CN(CO(2)Et)CS2]Re(CO)(4) (8) and cis-Re(CO)(4)(PMe(2)Ph)[mu-EtO(2)C)N=CN(CO(2)Et)CS2]Re(CO)(4) (9), plus a small amount of the dimetalated thioimidate compound Re-2(CO)(8)(PPhMe(2))(mu-EtO(2)CNCS) (10). Compounds 8 and 9 contain a bridging (EtO(2)C)N=CN(CO(2)Et)CS2 ligand that was also formed by the coupling and rearrangement of two isothiocyanate molecules, This ligand is considered to be an intermediate en route to the (EtO(2)C)(2)NC=NCS2 ligand as found in 4, since 8 and 9 can be transformed into the complex Re(CO)(4)[mu-C,N,S-2-(EtO(2)C)(2)NC=NCS2]Re(CO)(3)(PMe(2)Ph) (11), a phosphine derivative of 4, A small amount of the complex Re(CO)(3)(PPhMe(2))(mu-S2C=NCO(2)Et)Re(CO)(3)(PPhMe(2)) (12) was also formed from 8 and 9. Compound 12 contains a dithiocarbimato ligand in a novel tetradentate bridging coordination mode, A mechanism for the formation of the (EtO(2)C)(2)-NC=NCS2 ligand is presented and discussed.

  DOI：

  10.1021/om950675o
• 作为产物：
  描述：

  [Re2(CO)9(acetonitrile)] 、 异硫氰酰甲酸乙酯 以 正己烷 为溶剂， 以7%的产率得到Re(CO)4[s-trans-μ-C,S-EtO2CN=CS]Re(CO)5
  参考文献：
  名称：

  Adams, Richard D.; Huang, Mingsheng, Chemische Berichte, 1996, vol. 129, # 5, p. 485 - 487

  摘要：

  DOI：