(Z)-1-cyanoethene-1,2-dithiolate;cyclopenta-1,3-diene;titanium(4+) | 239795-77-8

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: (Z)-1-cyanoethene-1,2-dithiolate;cyclopenta-1,3-diene;titanium(4+)
• CAS: 239795-77-8
• 化学式: C₁₃H₁₁NS₂Ti
• 分子量: 293.249
• InChiKey: ZELOHMKWENQWHZ-GDNVVUIBSA-L

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：

  二氯二茂钛 、 Zn(S2C2(H)CN)(N,N,N',N',N''-pentamethyldiethylenetriamine) 以 乙腈 为溶剂， 以84%的产率得到(Z)-1-cyanoethene-1,2-dithiolate;cyclopenta-1,3-diene;titanium(4+)
  参考文献：
  名称：

  Dehydrogenative Route to Metallo Dithiolenes:  The Reaction of Zinc Polysulfides and Alkenes

  摘要：

  Complexes of the type ZnS6(TMEDA), ZnS4(PMDETA), and ZnS4(Me(3)TACN) react with electrophilic alkenes to give dithiolene complexes ZnS2C2R2(amine)(n). The Me(3)TACN complex is the most reactive, while the more conveniently prepared PMDETA complex also undergoes this reaction at useful rates. The following alkenes were successfully tested: C2H2(CO2Me)(2) (cis and trans isomers), C2H3(CO2Me), C2H3(CN), 1,2-C2H2Me(CN), C2H3(CHO), and 1,2-C2H2(CN)(Ph). Crystallographic analysis shows that the highly reactive complex ZnS4(Me(3)TACN) is structurally similar to ZnS4(PMDETA), including the presence of an elongated Zn-N-ax bond. Model studies indicate that the reaction of alkenes with LnZnSx proceeds via the reversible formation of a dipolar intermediate, as indicated by the ability of the polysulfido complexes to catalyze the isomerization of cis-C2H2(CO2Me)(2). It is proposed that such dipolar species undergoes ring closure to give alkanedithiolato intermediates, e.g., Zn[S2C2H2(CO2Me)(2)](PMDETA). The dithiolato complexes Zn[S2C2H2(CO2Me)(2)](PMDETA) and Zn[S2C2H2(CO2Me)(2)](TMEDA) were prepared from ZnMe2, the di- and triamines, and the dithiol meso-(HS)(2)C2H2(CO2Me)(2). These dithiolates undergoes dehydrogenation upon treatment with S-8 to give the dithiolene Zn[S2C2(CO2Me)(2)]L-n at a rate that is independent of the ancillary ligand L. The dithiolene ligands can be removed from the Zn center by treatment with [COCl2](3) and Cp2TiCl2; in this way Zn[S2C2H(CN)](PMDETA) was converted to OCS2C2H(CN) and Cp2TiS2C2H(CN).

  DOI：

  10.1021/ic990090c