[PdBr(p-CN-C6H4)(C10H6P(3,5-di-t-butylphenyl)2C10H6C3H3OCH(CH3)2)] | 701284-53-9

• 英文名称: [PdBr(p-CN-C6H4)(C10H6P(3,5-di-t-butylphenyl)2C10H6C3H3OCH(CH3)2)]
• CAS: 701284-53-9
• 化学式: C₆₁H₆₈BrN₂OPPd
• 分子量: 1062.52
• InChiKey: RFNQSADAKBWZNC-MTLOSUCESA-M

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

• 作为产物：
  描述：

  (S,R)-2-[4-(isopropyl)oxazol-2-yl]-2'-[bis(3,5-di-tert-butylphenyl)phosphino]-1,1'-binaphthyl 、 PdBr(4-cyanophenyl)(TMEDA) 以 四氢呋喃 为溶剂， 以75%的产率得到[PdBr(p-CN-C6H4)(C10H6P(3,5-di-t-butylphenyl)2C10H6C3H3OCH(CH3)2)]
  参考文献：
  名称：

  3,5-Dialkyl Effect on Enantioselectivity in Pd Chemistry:  Applications Involving Both Bidentate and Monodentate Auxiliaries

  摘要：

  The structural 3,5-dialkylphenyl effect on enantioselectivity is demonstrated for several Pd-catalyzed reactions including a ring-opening transmetalation, Heck arylation, and allylic alkylation. For these homogeneously catalyzed reactions the observed enantiomeric excesses (ee's) are found to improve by more than 15%. The ligands tested include MeO-Biphep and a P,N-phosphino-oxazoline-bidentate ligand containing 3,5-di-tert-butylphenyl substituents. Further, several derivatives of the monodentate auxiliary MOP ((R)-2-diarylphosphino-1,1'-binaphthyl) have been modified to include 3,5-dialkylphenyl substituents and these auxiliaries have been tested in Pd-catalyzed enantioselective hydrosilylation chemistry. For some, but not all of these MOP ligands, enhanced ee's of the order of 40-50% are found. Variable-temperature and 2-D NMR studies have been carried out on new model complexes and reveal selected restricted rotation around a number of the P-C(Ipso) aryl bonds. Solid-state structures for two of the new complexes, PdBr(p-NCC6H4)(phosphino-oxazoline, 2b), 8b, and PdCl(C6H4CH2NMe2)(MOP, 4b), 9b, have been determined.

  DOI：

  10.1021/om034381b