((η5-C5H5)Fe(η5-C5H4C(C6H5)=NCH2C6H4-CH3-4)) | 952418-99-4

• 英文名称: ((η5-C5H5)Fe(η5-C5H4C(C6H5)=NCH2C6H4-CH3-4))
• CAS: 952418-99-4
• 化学式: C₂₅H₂₃FeN
• 分子量: 393.311
• InChiKey: ZEDLHWSRFDWNFA-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  ((η5-C5H5)Fe(η5-C5H4C(C6H5)=NCH2C6H4-CH3-4)) 、 lithium aluminium tetrahydride 在 三氯化铝 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到((η5-C5H5)Fe(η5-C5H4CH(C6H5)NHCH2C6H4-CH3-4))
  参考文献：
  名称：

  Highly active ferrocenylamine-derived palladacycles for carbon–carbon cross-coupling reactions

  摘要：

  {[(N-Methyl-N-p-R-benzyl)amino]benzyl} ferrocenes 4a-c (R = H(a), OCH3(b), CH3(c)) were synthesized by N-methylation of the corresponding sec-amines 3a-c with the reagent CH3I-t-BuOK. Treatment of 4a-c with Na2PdCl4 in the presence of NaOAc produced a pair of palladacycles sigma-Pd[(eta(5)-C5H5)Fe(eta(5)-C5H3CH(C6H5)N(CH3)CH2-C6H4-R)]Cl(PPh3) 5a-c (R = same as before) consisting of RNRP and SNSP configurations. The structure of 5a was determined by single crystal X-ray analysis. High catalytic activities of 5a-c for the Suzuki coupling of aryl chlorides with phenylboronic acid and the Heck reaction of bromobenzene with styrene were observed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.030
• 作为产物：
  描述：

  苯甲酰基二茂铁 、 4-甲基苄胺 在 四氯化钛 作用下， 以 甲苯 为溶剂， 以85%的产率得到((η5-C5H5)Fe(η5-C5H4C(C6H5)=NCH2C6H4-CH3-4))
  参考文献：
  名称：

  Highly active ferrocenylamine-derived palladacycles for carbon–carbon cross-coupling reactions

  摘要：

  {[(N-Methyl-N-p-R-benzyl)amino]benzyl} ferrocenes 4a-c (R = H(a), OCH3(b), CH3(c)) were synthesized by N-methylation of the corresponding sec-amines 3a-c with the reagent CH3I-t-BuOK. Treatment of 4a-c with Na2PdCl4 in the presence of NaOAc produced a pair of palladacycles sigma-Pd[(eta(5)-C5H5)Fe(eta(5)-C5H3CH(C6H5)N(CH3)CH2-C6H4-R)]Cl(PPh3) 5a-c (R = same as before) consisting of RNRP and SNSP configurations. The structure of 5a was determined by single crystal X-ray analysis. High catalytic activities of 5a-c for the Suzuki coupling of aryl chlorides with phenylboronic acid and the Heck reaction of bromobenzene with styrene were observed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.030