ReH(N2)(PMe2Ph)4 | 135707-77-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ReH(N2)(PMe2Ph)4
• 英文别名: cis-hydrido(dinitrogen)tetrakis(dimethylphenylphosphine)rhenium(I)；cis-ReH(N2)(PMe2Ph)4
• CAS: 135707-77-6
• 化学式: C₃₂H₄₅N₂P₄Re
• 分子量: 767.825
• InChiKey: ARXSVXIRDGUYIV-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

• 作为反应物：
  描述：

  ReH(N2)(PMe2Ph)4 在 hydrogen 作用下， 以 甲苯 为溶剂， 以44%的产率得到ReH5(PMe2Ph)3
  参考文献：
  名称：

  具有二甲基苯基膦配体的rh（I）的氢化双（乙烯）和氢化二氮配合物的合成和结构

  摘要：

  mer-Hydridobis(ethylene)tris(dimethylphenylphosphine)rhenium(I) (1) and cis-hydrido(dinitrogen)tetrakis(dimethylphenylphosphine)rhenium(I) (2) have been prepared by the reaction of mer-trichlorotris(dimethylphenylphosphine)rhenium(I) with ethyllithium and n-propyllithium, respectively. X-ray structure analysis reveals that both complexes are octahedral, and in the former complex the two coordinated ethylenes occupy sites perpendicular to each other in cis positions and in the latter complex hydrido and dinitrogen ligands in cis positions. The coordinated ethylene and dinitrogen can be smoothly displaced by dihydrogen to give known trihydrido- or pentahydridorhenium complexes. Crystal data for 1: space group P1BAR, Z = 2, a = 9.285 (3) angstrom, b = 19.229 (5) angstrom, c = 9.044 (3) angstrom, alpha = 93.47 (3)-degrees, beta = 120.16 (2)-degrees, gamma = 90.23 (3)-degrees, V = 1392.5 (8) angstrom 3 , R = 0.0653, R(w) = 0.0641, based on 3959 reflections with F > 3-sigma(F). Crystal data for 2: space group P2(1)/a, Z = 4, a = 27.49 (1) angstrom, b = 10.113 (2) angstrom, c = 12.235 (6) angstrom, beta = 91.94 (4)-degrees, V = 3424 (2) angstrom 3, R = 0.0464, R(w) = 0.0533, based on 4129 reflections with F > 3-sigma(F).

  DOI：

  10.1021/om00055a024
• 作为产物：
  描述：

  mer-[ReCl3(C6H5P(CH3)2)3] 、 二甲基苯基磷 在 N₂ 、 n-propyllithium 作用下， 以 乙醚 为溶剂， 以57%的产率得到ReH(N2)(PMe2Ph)4
  参考文献：
  名称：

  具有二甲基苯基膦配体的rh（I）的氢化双（乙烯）和氢化二氮配合物的合成和结构

  摘要：

  mer-Hydridobis(ethylene)tris(dimethylphenylphosphine)rhenium(I) (1) and cis-hydrido(dinitrogen)tetrakis(dimethylphenylphosphine)rhenium(I) (2) have been prepared by the reaction of mer-trichlorotris(dimethylphenylphosphine)rhenium(I) with ethyllithium and n-propyllithium, respectively. X-ray structure analysis reveals that both complexes are octahedral, and in the former complex the two coordinated ethylenes occupy sites perpendicular to each other in cis positions and in the latter complex hydrido and dinitrogen ligands in cis positions. The coordinated ethylene and dinitrogen can be smoothly displaced by dihydrogen to give known trihydrido- or pentahydridorhenium complexes. Crystal data for 1: space group P1BAR, Z = 2, a = 9.285 (3) angstrom, b = 19.229 (5) angstrom, c = 9.044 (3) angstrom, alpha = 93.47 (3)-degrees, beta = 120.16 (2)-degrees, gamma = 90.23 (3)-degrees, V = 1392.5 (8) angstrom 3 , R = 0.0653, R(w) = 0.0641, based on 3959 reflections with F > 3-sigma(F). Crystal data for 2: space group P2(1)/a, Z = 4, a = 27.49 (1) angstrom, b = 10.113 (2) angstrom, c = 12.235 (6) angstrom, beta = 91.94 (4)-degrees, V = 3424 (2) angstrom 3, R = 0.0464, R(w) = 0.0533, based on 4129 reflections with F > 3-sigma(F).

  DOI：

  10.1021/om00055a024
• 作为试剂：
  描述：

  异丁醛 、 氰乙酸乙酯 在 ReH(N2)(PMe2Ph)4 作用下， 以 苯 为溶剂， 反应 72.0h， 以61%的产率得到2-氰基-4-甲基戊-2-烯酸乙酯
  参考文献：
  名称：

  N-bonded enolatorhenium(I) complexes having dimethylphenylphosphine ligands as active key intermediates in catalytic Knoevenagel and Michael reactions

  摘要：

  Enolatorhenium(I) complexes cis-Re(NCCRCO2R')(NCCHRCO2R')(PMe2Ph)(4) (R = H, R' = Me (2a); R = H, R' = Et (2b); R = H, R' = n-Bu (2c); R = Me, R' = Et (2d)) are prepared by the reaction of ReH(N-2)(PMe2Ph)(4) (1) with alkyl cyanoalkyl carboxylate. X-ray structure analysis of 2b shows that it has an octahedral Re geometry, where mutually cis enolato and ester ligands bind to the rhenium via cyano groups. Reaction of 2b with benzaldehyde gives Re(NCCHCO3Et)[NC(EtO2C)C-CHPh]-(PMe2Ph)(4) (4), which is also derived from the ligand exchange reaction of 2b with ethyl (E)-2-cyano-3-phenylpropenoate. These rhenium(I) complexes 1, 2, and 4 catalyze Knoevenagel and Michael reactions under neutral and mild conditions. A possible mechanism for the Knoevenagel reaction has been proposed. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00768-2