{(η5-C5H5)Re(NO)(PPh3)(OCHC6H5)}BF4 | 126186-43-4

• 英文名称: {(η5-C5H5)Re(NO)(PPh3)(OCHC6H5)}BF4
• CAS: 126186-43-4
• 化学式: BF₄*C₃₀H₂₆NO₂PRe
• 分子量: 736.527
• InChiKey: JPTSENYUXYKXJR-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：

  sodium hexafluoroantimonate 、 {(η5-C5H5)Re(NO)(PPh3)(OCHC6H5)}BF4 以 丙酮 为溶剂， 以68%的产率得到
  参考文献：
  名称：

  A Crystallographic Map of Chiral Recognition in π Complexes of Aromatic Aldehydes and a Chiral Transition Metal Lewis Acid:  Enantioface Binding Selectivities in Solution Correlate to Distances between Metal and Carbon Stereocenters in the Solid State

  摘要：

  The pi aromatic aldehyde complexes [(eta(5)-C5H5)Re(NO)(PPh(3))(eta(2)-O=CHAr)](BF4-)-B-+(1(+)BF(4)(-); Ar = a, C6F5; b, 4-C6H4CF3; c, 4-C6H4Cl; d, C6H5; e, 4-C6H4CH3; f, 4-C6H4CH2CH3; g, 4-C6H4OCH3) exist as mixtures of configurational diastereomers (RS,SR/RR,SS or pi/pi') that differ in the O=C enantioface bound to rhenium. Under standard conditions (0.000 71 M, CH2Cl2, 173 K), pi/pi' equilibrium ratios are 97:3, 89:11, 84:16, 80:20, 76:24, 79:21, and 74:26, respectively. Steric interactions between the aryl groups and cyclopentadienyl ligands destabilize the pi' isomers. The crystal structures of (RS,SR)-1a-c,f(+)PF(6)(-) and (RS,SR)-1d(+)SbF(6)(-) show that the distances between the rhenium and carbon stereocenters (Angstrom, a/b/c/d/f: 2.157(5)-2.161(9), 2.172(4), 2.176(4), 2.182(6)-2.188(9), 2.184(5)-2.199(6)) increase as pi/pi' ratios decrease. Stronger pi accepting aldehydes give shorter bonds and higher chiral recognition. The aliphatic aldehyde complexes [(eta(5)-C5H5)Re(NO)(PPh(3))(eta(2)-O=CHR)](BF4-)-B-+ exhibit higher pi/pi' ratios (R CH3, 99.0:1.0; CH2CH3, 99.8:0.2; CH2CH2CH3, 99.5:0.5; CH(CH3)(2) and C(CH3)(3), > 99.9: < 0.1), and possible rationales are given. The pi/pi' ratios increase at higher concentration or lower temperature, and vary slightly with counteranion (BF4- > PF6- greater than or equal to SbF6-).

  DOI：

  10.1021/ja953523t
• 作为产物：
  描述：

  {(η5-C5H5)Re(NO)(PPh3)(PhCH2OH)}BF4 、 苯甲醛 以 二氯甲烷 为溶剂， 以>99的产率得到{(η5-C5H5)Re(NO)(PPh3)(OCHC6H5)}BF4
  参考文献：
  名称：

  Agbossou, Sename K.; Smith, Whitney W.; Gladysz, John A., Chemische Berichte, 1990, vol. 123, p. 1293 - 1300

  摘要：

  DOI：

文献信息

• Generation and reactivity of the chiral rhenium chlorobenzene complex [(η5-C5H5)Re(NO)(PPh3)(ClC6H5)]+BF−4: an improved functional equivalent of the chiral Lewis acid [(η5-C5H5)Re(NO)(PPh3)]+BF−4
  作者：James J. Kowalczyk、Sénamé K. Agbossou、J.A. Gladysz

  DOI：10.1016/0022-328x(90)85333-t

  日期：1990.11

  adducts [(η5-C5H5)Re(NO)(PPh3)(L)]+BF−4, halide ions X− to give halide complexes (η5-C5H5)Re(NO)(PPh3)(X), and HSi(OEt)3 to give hydride complex (η5-C5H5)Re(NO)(PPh3)(H) (74–91%). When 5 is generated from optically active 1, analogous reactions with L ((−)-(S)-2-phenylbutyronitrile, benzaldehyde) give adducts in high optical yields and with overall retention of configuration at rhenium. For example, carboxylate

  的（η反应5 -C 5 H ^ 5）的Re（NO）（PPH 3）（CH 3）（1）和HBF 4 ·OET 2用C 6 H ^ 5氯在-45℃下使氯苯络合物[（η 5 -C 5 H 5）Re（NO）（PPh 3）（ClC 6 H 5）] + BF - 4（5）。铼是结合主要地氯5，但其他物种，可能η 2分-arene异构体，是显而易见的311 H NMR。相对数量在变暖时发生变化，并出现新物种。复杂5起反应用中性供体配体L（CH 3 CN，C 6 H ^ 5 CH 2 CH = CH 2，THF），得到相应加合物[（η 5 -C 5 H ^ 5）的Re（NO）（PPH 3）（ L）] + BF - 4，卤化物离子X - ，得到卤化物络合物（η 5 -C 5 H ^ 5）的Re（NO）（PPH 3）（X），和在HSi（OET）3，得到氢化物络合物（η 5 -C 5H 5）Re（NO）（PPh
• Garner, Charles M.; Méndez, N. Quirós; Kowalczyk, James J., Journal of the American Chemical Society, 1990, vol. 112, # 13, p. 5146 - 5160
  作者：Garner, Charles M.、Méndez, N. Quirós、Kowalczyk, James J.、Fernández, Jésus M.、Emerson, Kenneth、Larsen, Raymond D.、Gladysz

  DOI：——

  日期：——
• Mendez, N. Quiros; Arif, Atta M.; Gladysz, J. A., Angewandte Chemie, 1990, vol. 102, p. 1507 - 1509
  作者：Mendez, N. Quiros、Arif, Atta M.、Gladysz, J. A.

  DOI：——

  日期：——