(η(4)-exo-MeC5H5)Fe(CO)2P(OMe)3 | 223241-83-6

• 分子结构分类: 有机化合物 - 有机磷化合物 - 亚磷酸三烷基酯
• 英文名称: (η(4)-exo-MeC5H5)Fe(CO)2P(OMe)3
• 英文别名: Carbon monoxide;iron;5-methylcyclopenta-1,3-diene;trimethyl phosphite
• CAS: 223241-83-6
• 化学式: C₁₁H₁₇FeO₅P
• 分子量: 316.074
• InChiKey: CLMLLCDTMYJZHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  dicarbonylcyclopentadienyliodoiron(II) 、 三甲氧基磷 在 甲基锂 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 以44.9%的产率得到(η(4)-exo-MeC5H5)Fe(CO)2P(OMe)3
  参考文献：
  名称：

  MeLi Reactions with the Electrophile System of (η⁵-C₅H₅)Fe(CO)₂I/P(OMe)₃:  The Roles of MeLi as Reductant, Nucleophile, and Base

  摘要：

  The three roles of MeLi-nucleophile, base and reductant-could be revealed by the electrophile system of (eta(5)-C5H5)Fe(CO)(2)I (1) and P(OMe)(3). The addition of MeLi dropwise without delay to the 1:1 mixture results in (eta(4)-exo-MeC5H5)Fe(CO)(2)P(OMe)(3) (3), where MeLi is a reductant at the first stage and then a nucleophile at the second stage. On the other hand, the addition of a catalytic amount of MeLi to the mixture of 1 and excess P(OMe)(3), followed by the MeLi/MeI sequence after a delay time, results in the formation of [eta(5)-C5H4-{P(O)(OMe)(2))}]-Fe(CO) {P(OMe)(3)}Me (7), where MeLi is a reductant at the initial stage and a base at the latter stage.

  DOI：

  10.1021/om981001r

文献信息

• MeLi Reactions with the Electrophile System of (η⁵-C₅H₅)Fe(CO)₂I/P(OMe)₃:  The Roles of MeLi as Reductant, Nucleophile, and Base
  作者：Ling-Kang Liu、Yi-Hsien Liao、Uche B. Eke

  DOI：10.1021/om981001r

  日期：1999.3.1

  The three roles of MeLi-nucleophile, base and reductant-could be revealed by the electrophile system of (eta(5)-C5H5)Fe(CO)(2)I (1) and P(OMe)(3). The addition of MeLi dropwise without delay to the 1:1 mixture results in (eta(4)-exo-MeC5H5)Fe(CO)(2)P(OMe)(3) (3), where MeLi is a reductant at the first stage and then a nucleophile at the second stage. On the other hand, the addition of a catalytic amount of MeLi to the mixture of 1 and excess P(OMe)(3), followed by the MeLi/MeI sequence after a delay time, results in the formation of [eta(5)-C5H4-P(O)(OMe)(2))}]-Fe(CO) P(OMe)(3)}Me (7), where MeLi is a reductant at the initial stage and a base at the latter stage.