[Fe(SeCCC6H4Me-4)(CO)2(η-C5H5)] | 1256574-60-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Fe(SeCCC6H4Me-4)(CO)2(η-C5H5)]
• 英文别名: carbon monoxide;cyclopenta-1,3-diene;iron(2+);2-(4-methylphenyl)ethyneselenolate
• CAS: 1256574-60-3
• 化学式: C₁₆H₁₂FeO₂Se
• 分子量: 371.077
• InChiKey: DFBKBMBEOWEKQT-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dicobalt octacarbonyl 、 [Fe(SeCCC6H4Me-4)(CO)2(η-C5H5)] 以 乙醚 为溶剂， 以98%的产率得到[Fe(SeC(Co2(CO)6)CC6H4Me-4)(CO)2(η-C5H5)]
  参考文献：
  名称：

  Alkynyl Selenolate Complexes of Iron, Nickel, and Molybdenum

  摘要：

  The successive treatment of terminal alkynes, HC CR (R = C6H4Me-4, SiMe3), with "BuLi and gray selenium affords LiSeC CR, which in turn reacts with [FeCl(CO)(2)(eta-C5H5)], [NiCl(PPh3)-(eta-C5H5)], and [MoI(CO)(3)(eta-C5H5)] to afford the alkynylselenolato complexes [Fe(SeC CR)-(CO)(2)(eta-C5H5)], [Ni(SeC CR)(PPh3)(eta-C5H5)], and [Mo(SeC CR)(CO)(3)(eta-C5H5)], two examples of which have been structurally characterized. When [MoI(CO)(3){HB(pz)(3)}] (pz = pyrazol-l-yl) was however employed as the electrophile, low yields of the selenoketenyl complex [Mo(eta(2)-C,C'-SeCCR)(CO)(2){HB(pz)(3)}] were obtained via the presumed intermediacy of the alkynylselenolato complex [Mo(sigma-SeC CR)(CO)(3){HB(pz)(3)}], which is perhaps destabilized relative to the selenoketenyl complex by the octahedral enforcer character of the HB(pz)(3) ligand.

  DOI：

  10.1021/om100694f
• 作为产物：
  描述：

  selenium 、 二氯四吡啶铁(II) 、 4-甲苯基乙炔 在 n-BuLi 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 以52%的产率得到[Fe(SeCCC6H4Me-4)(CO)2(η-C5H5)]
  参考文献：
  名称：

  Alkynyl Selenolate Complexes of Iron, Nickel, and Molybdenum

  摘要：

  The successive treatment of terminal alkynes, HC CR (R = C6H4Me-4, SiMe3), with "BuLi and gray selenium affords LiSeC CR, which in turn reacts with [FeCl(CO)(2)(eta-C5H5)], [NiCl(PPh3)-(eta-C5H5)], and [MoI(CO)(3)(eta-C5H5)] to afford the alkynylselenolato complexes [Fe(SeC CR)-(CO)(2)(eta-C5H5)], [Ni(SeC CR)(PPh3)(eta-C5H5)], and [Mo(SeC CR)(CO)(3)(eta-C5H5)], two examples of which have been structurally characterized. When [MoI(CO)(3){HB(pz)(3)}] (pz = pyrazol-l-yl) was however employed as the electrophile, low yields of the selenoketenyl complex [Mo(eta(2)-C,C'-SeCCR)(CO)(2){HB(pz)(3)}] were obtained via the presumed intermediacy of the alkynylselenolato complex [Mo(sigma-SeC CR)(CO)(3){HB(pz)(3)}], which is perhaps destabilized relative to the selenoketenyl complex by the octahedral enforcer character of the HB(pz)(3) ligand.

  DOI：

  10.1021/om100694f