Fe(η(5)-C5Ph5)(CO)(PMe3)(CHDOMe) | 178809-66-0

• 英文名称: Fe(η(5)-C5Ph5)(CO)(PMe3)(CHDOMe)
• CAS: 178809-66-0
• 化学式: C₄₁H₃₉FeO₂P
• 分子量: 651.572
• InChiKey: QULYPFDBPJOCTD-JCJDDGPNSA-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

• 作为产物：
  描述：

  lithium aluminium deuteride 、 [Fe(η(5)-C5Ph5)(CO)(PMe3)(=CHOMe)][PF6] 以 四氢呋喃 为溶剂， 以80%的产率得到Fe(η(5)-C5Ph5)(CO)(PMe3)(CHDOMe)
  参考文献：
  名称：

  Stereospecific syntheses of functionalised iron alkyl complexes with a stereogenic metal center from an iron formyl precursor

  摘要：

  Treatment of the stable formyl complex Fe(C(5)Ph(5))(CO)(PMe(3))CHO (1) with an excess of methyl triflate and subsequent addition of NH4PF6 produces the secondary carbene complex [Fe(eta(5)-C(5)Ph(5))(CO)(PMe(3))(=CHOMe)][PF6] (2, 93%). Methyl lithium acts as a dealkylating reagent with 2 to regenerate 1 (81%). Treatment of methoxycarbene complex 2 with LiAlH4 gives the methoxymethyl complex Fe(eta(5)-C(5)Ph(5))(CO)(PMe(3))(CH(2)OMe) (3) in 95% yield. Similarly, reaction of 2 with LIAlD(4) gives a 90: 10 mixture of Fe(eta(5)-C(5)Ph(5))(Co)(PMe(3))(CHDOMe) (3 d(1), 80%) diastereoisomers. The carbene complex 2 reacts with MeONa to give the iron dimethylacetal complex Fe(eta(5)-C(5)Ph(5))(CO)(PMe(3)){CH(OMe)(2)} (4, 55%). The cyano(methoxy)methyl complex Fe(eta(5)-C(5)Ph(5))(Co)(PMe(3)){CH(CN)(OMe)} (5, 85%) is obtained from the reaction of 2 with 1 equivalent of KCN. NMR analyses of the crude product revealed that complex 5 was formed as a 85:15 mixture of diastereoisomers. The carbene complex 2 reacts with TMSC=CLi to afford a 90:10 mixture of diastereoisomers of the stable methoxy(trimethylsilylethynyl)methyl iron complexes Fe(C(5)Ph(5))(CO)(PMe(3)) {CH(OMe)(C=CTMS)} (6). After extraction and filtration 6 is isolated as a pure diastereoisomer in 63% yield.

  DOI：

  10.1016/0022-328x(95)06026-s