σ-Pd[ClPPh3(η5-C5H5)Fe(η5-C5H3CH2N(Me)(4-ClC6H4))] | 918889-92-6

• 英文名称: σ-Pd[ClPPh3(η5-C5H5)Fe(η5-C5H3CH2N(Me)(4-ClC6H4))]
• 英文别名: σ-Pd[ClPPh3([(N-methyl-N-(4-chlorophenyl))amino]methylferrocene-H)]
• CAS: 918889-92-6
• 化学式: C₃₆H₃₂Cl₂FeNPPd
• 分子量: 742.804
• InChiKey: XSGNTFMUWFHQDV-UHFFFAOYSA-M

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：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 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：

  sodium tetrachloropalladate(II) 、 [N-methyl-N-(p-chlorophenyl)amino]methylferrocene 、 三苯基膦 在 sodium acetate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以12%的产率得到σ-Pd[ClPPh3(η5-C5H5)Fe(η5-C5H3CH2N(Me)(4-ClC6H4))]
  参考文献：
  名称：

  Stereoselective cyclopalladation of [{(N-methyl-N-aryl)amino}methyl]ferrocenes: Crystal structure of σ-Pd[ClPPh3(η5-C5H5)Fe(η5-C5H3CH2N(CH3)C6H4OCH3-4)]·H2O

  摘要：

  Stereoselective cyclopalladation of [(N-methyl-N-aryl)amino]methylferrocenes 1a-f (aryl = 4-CH3OC6H4(a), 4-CH3C6H4(b), C6H5(c), 4-ClC6H4(d), 3-ClC6H4(e), 3-O2NC6H4(f)) with sodium palladium tetrachloride and followed by treatment with triphenylphosphine resulted in the cyclopalladated complexes 3a-f (aryl = same as before) in the form of raceme. The structure of 3a was determined by X-ray single crystal diffraction. Complex 3a crystallizes in triclinic, space group P-1 with a = 10.6685(14), b = 10.7412(14), c = 16.795(2) angstrom, alpha = 71.879(2), beta = 85.798(2), gamma = 6.4.523(2)degrees. The possible mechanism for the formation of 3 was discussed. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2006.03.024

文献信息

• Ortho-mercurated [({N-methyl-N-arylamino}methyl)ferrocenes] and their transpalladation. Crystal structures of [(η5-C5H5)Fe{η5-C5H3(HgCl)CH2N(CH3)C6H4OCH3-4}]2, [(η5-C5H5)Fe{η5-C5H3(HgCl)CH2N(CH3)C6H4Cl-3}] and [(η5-C5H4HgCl)Fe{η5-C5H4CH2N(CH3)C6H4Cl-4}]
  作者：Hong-Xing Wang、Ying-Jie Li、Hong-Fei Wu、Ren-Qing Gao、Feng-Ying Geng、Xiao-Li Yang、Li Wan、Rong Jin、Xiu-Ling Cui、Yang-Jie Wu

  DOI：10.1016/j.poly.2006.06.012

  日期：2006.12

  ferrocenylamines [(η 5 -C 5 H 5 )Feη 5 -C 5 H 4 CH 2 N(CH 3 )C 6 H 4 R}] (4) (R = 4-MeO (a), 4-Me (b), H (c), 4-Cl (d), 3-Cl (e), 3-NO 2 (f)) with mercury (II) acetate and lithium chloride yielded ortho-mercurated [(η 5 -C 5 H 5 )Feη 5 -C 5 H 3 (HgCl)CH 2 N(CH 3 )C 6 H 4 R}] (6) (R = same as before) and a minor product [(η 5 -C 5 H 4 HgCl)Feη 5 -C 5 H 4 CH 2 N(CH 3 )C 6 H 4 Cl-4}] (7) from 4d (R = 4-Cl)

  二茂铁胺的处理[（η5 -C 5 H 5）Fe η5 -C 5 H 4 CH 2 N（CH 3）C 6 H 4 R}]（4）（R = 4-MeO（a），4 -Me（b），H（c），4-Cl（d），3-Cl（e），3-NO 2（f））与乙酸汞（II）和氯化锂的溶液进行邻苯并[[η5 -C 5 H 5）Fe η5 -C 5 H 3（HgCl）CH 2 N（CH 3）C 6 H 4 R}]（6）（R =与以前相同）和次要产物[（η5 -C 5 H 4 HgCl）Fe η5 -C 5 H 4 CH 2 N（CH 3）C 6 H 4 Cl-4}]（7）从4d（R = 4-Cl）。苯环上取代基的特性可能在控制产物分布中起重要作用。观察到并合理化了分子间优先于分子内N-Hg的相互作用6。经由四氯钯酸二钠（II）的6的palpallads以低产率得到了相应的palpalpalated的复合物。6a，e，