| 168415-08-5

• CAS: 168415-08-5
• 化学式: C₃₁H₂₅FeO₃P
• 分子量: 532.358
• InChiKey: SBRMMOSJSLDZSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  dicarbonylcyclopentadienyliodoiron(II) 、 sodium phenoxide 、 三苯基膦 以 四氢呋喃 、 甲醇 为溶剂， 以45%的产率得到
  参考文献：
  名称：

  半三明治式铁羧基烷基和铁（硫代羧基）烷基的合成：在三苯基膦存在下环戊二烯基二羰基碘铁与O和S亲核试剂的反应

  摘要：

  One equivalent of NaOMe is added to an equimolar mixture of(eta(5)-C5H5)Fe(CO)(2)I (1) and PPh(3) after the addition of a few drops of n-BuLi, to take advantage of the catalytic formation of [(eta(5)-C5H5)Fe(CO)(2)(PPh)(3)]I-+(-) (3), which, upon formation, becomes the virtual reactant with OMe(-). The OMe(-) reaction yields the methyl carboxylate (eta(5)-C5H5)Fe(CO)(PPh)(3)C(O)OMe (8Me). A similar pattern is observed in the OPh(-), SMe(-), and SPh(-) reactions, resulting in the derivatives (eta(5)-C5H5)Fe(Co)(PPh)(3)C(O)OPh (8Ph), (eta(5)-C5H5)Fe(Co)(PPh)(3)C(O)SMe (9Me), and (eta(5)-C5H5)Fe(Co)(PPh)(3)C(O)SPh (9Ph), respectively. The metalloesters exist simultaneously in the molecular form (8R) and the ionic form [(eta(5)-C5H5)Fe(Co)(2)(PPh)(3)](+) OR(-) (10R; R = Me, Ph) in solutions of medium polarity (CHCl3 CH2Cl2 and MeCN), whereas the S analogs exist only in the ionic form. In CHCl3, CH2Cl2, and MeCN solutions, the ratio of neutral 8Me to ionic 10Me is ca. (6.0-8.4):1, as judged from the NMR measurements. Nonetheless, the ratio of neutral 8Ph to ionic 10Ph is ca. (0.17-0.25):1.

  DOI：

  10.1021/om00008a048