Pd(P(o-tolyl)3)(p-C6H4CMe3)(benzylamine)Br | 180400-84-4

• 英文名称: Pd(P(o-tolyl)3)(p-C6H4CMe3)(benzylamine)Br
• CAS: 180400-84-4
• 化学式: C₃₈H₄₃BrNPPd
• 分子量: 731.064
• InChiKey: PRSXUNDEDIEXBE-UHFFFAOYSA-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

• 作为反应物：
  描述：

  Pd(P(o-tolyl)3)(p-C6H4CMe3)(benzylamine)Br 、 4-叔丁基溴苯 以 氘代苯 为溶剂， 生成 Pd(P(1-naphthyl)3)(p-C6H4CMe3)(benzylamine)Br
  参考文献：
  名称：

  Kinetics and Mechanism of the Formation of Palladium Bis(benzylamine) Complexes from Reaction of Benzylamine with Palladium Tri-o-tolylphosphine Mono(amine) Complexes

  摘要：

  The kinetics of the conversion of the palladium mono(benzylamine) complex Pd[P(o-tol)(3)](p-C6H4CMe3)H-2-NBn]Br (2) to the bis(benzylamine) complex Pd(p-C6H4CMe3)[H2NBn](2)Br (3) established the second-order rate law: Rate = k(1)[2][H2NBn], where Delta H-double dagger = 13.8 +/- 0.3 kcal mol(-1) and Delta S-double dagger = -29.7 +/- 0.8 eu. Kinetics were consistent with a mechanism initiated by direct attack of benzylamine on 2 via an associative or interchange mechanism. Benzylamine exchange with both 2 and 3 was > 1.5 x 10(3) times faster than conversion of 2 to 3 under comparable conditions. Complex 2 underwent phosphine exchange in the presence of P(1-naphthyl)(3) to form Pd[P(1-naphthyl)(3)](P-C6H4CMe3)[H2NBn]Br (9). Kinetics of the conversion of 9 to 2 were consistent with associative solvolysis of 9 to form Pd[P(1-naphthyl)(3)](p-C6H4CMe3)[solvent]Br (V) followed by attack of P(o-tolyl)3 to form the mixed bis(phosphine) intermediate Pd[P(o-tol)3][[P(1-naphthyl)(3)](p-C6H4CMe3)Br (VI). Solvolytic displacement of P(o-tolyl)(3) from VI followed by reaction with amine would then form 2.

  DOI：

  10.1021/ic961388v