(S)-[(η5-C5H4PPh2)Re(NO)(PPh3)(PPh2)] | 109976-04-7

• 英文名称: (S)-[(η5-C5H4PPh2)Re(NO)(PPh3)(PPh2)]
• CAS: 109976-04-7；110043-18-0
• 化学式: C₄₇H₃₉NOP₃Re
• 分子量: 912.961
• InChiKey: NCUXTGUEZMPZIW-UHFFFAOYSA-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

• 作为反应物：
  描述：

  二(氰基苯)二氯化钯 、 (S)-[(η5-C5H4PPh2)Re(NO)(PPh3)(PPh2)] 以 四氢呋喃 为溶剂， 以75%的产率得到(R)-[(η5-C5H4PPh2)Re(NO)(PPh3)(μ-PPh2)PdCl2]
  参考文献：
  名称：

  Syntheses, Structures, and Catalytic Reactions of Palladium Adducts of Chiral Diphosphines That Contain a Rhenium Stereocenter in the Backbone

  摘要：

  Reactions of the title diphosphines [(eta(5)-C(5)H(4)Phh(2))Re(NO)(PPh3)((CH2)(n)PPh2)] (n = 0, (R)-1; n = 1, recemic or (S)-2) with [PdCl2(PhCN)(2)] give palladium/rhenium chelate complexes [(eta(5)-C5H4PPh2)Re(NO)(PPh3)((mu-CH2)(n)PPh2)PdCl2] (n = 0, (S)-5; n = 1, racemic or (S)-6) in 75-92% yield. The crystal structure of racemic 6 shows a twisted-boat conformation of the chelate ring, giving a chiral pocket very different from that in a related rhodium chelate. However, NOE experiments suggest a similar ensemble of conformations in solution. Catalysts are generated from various combinations of a) Pd(OAc)(2) and (R)-1 or (S)-2 (1:2), b) (S)-5 or (S)-6 and (R)-1 or (S)-2 (1:2), or c) (i-Bu)(2)AlH with the preceding recipes. These factors effect the Heck arylation of 2,3-dihydrofuran with phenyl trifluoromethylsulfonate. In contrast to analogous reactions with (R)-binap (=(R)-2,2'-bis(diplienylphosphanyl)-1,1'-binaphthalene), the major product 2-phenyl-2,3-dihydrofuran is nearly racemic (less than or equal to12% ee).

  DOI：

  10.1002/1522-2675(200206)85:6<1778::aid-hlca1778>3.0.co;2-9
• 作为产物：
  描述：

  、 二苯基氯化膦 以 四氢呋喃 为溶剂， 以68-89的产率得到(S)-[(η5-C5H4PPh2)Re(NO)(PPh3)(PPh2)]
  参考文献：
  名称：

  Zwick, Bill D.; Arif, Atta M.; Patton, Alan T., Angewandte Chemie, 1987, vol. 99, # 9, p. 921 - 922

  摘要：

  DOI：