iodopalladium(1+);methylbenzene;N-propan-2-ylpropan-2-amine;tris(2-methylphenyl)phosphane | 176725-18-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: iodopalladium(1+);methylbenzene;N-propan-2-ylpropan-2-amine;tris(2-methylphenyl)phosphane
• CAS: 176725-18-1
• 化学式: C₃₄H₄₃INPPd
• 分子量: 730.02
• InChiKey: SAUIJXQTHRPZDT-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

• 作为产物：
  描述：

  iodopalladium(1+);methylbenzene;tris(2-methylphenyl)phosphane 、 二异丙胺 以 二氯甲烷-D2 为溶剂， 生成 iodopalladium(1+);methylbenzene;N-propan-2-ylpropan-2-amine;tris(2-methylphenyl)phosphane
  参考文献：
  名称：

  Halide and Amine Influence in the Equilibrium Formation of Palladium Tris(o-tolyl)phosphine Mono(amine) Complexes from Palladium Aryl Halide Dimers

  摘要：

  The relative binding constants (K-b) for the coordination of amines to the palladium fragment Pd[P(o-tol)(3)](p-C(6)H(4)Me)Cl were determined by H-1 NMR spectroscopy and decrease in the order hexylamine > benzylamine approximate to cyclohexylamine approximate to piperidine > dibutylamine approximate to diethylamine approximate to N-benzylmethylamine > morpholine > diisobutylamine > dibenzylamine approximate to ert-octylamine >> diisopropylamine > N-methylaniline. The palladium halide dimers {Pd[P(o-tol)(3)](p-C(6)H(4)Me)(mu-X)}(2) (X = Cl (1), Br (2), I (3)) react reversibly with dibenzylamine to generate the corresponding 1:1 palladium amine adducts Pd[P(o-tol)(3)](p-C(6)H(4)Me)(HNBn(2))X (X = Cl (12), K = 6 +/- 1 x 10(3) M(-1); X = Br (18), K = 3.5 +/- 0.5 x 10(3) M(-1); X = I (22), K = 90 +/- 20 M(-1)), respectively. The related reaction of dibenzylamine with the iodide dimer {Pd[P(o-tol)(3)](p-C(6)H(4)OMe)(mu-I)}(2) (21) to form Pd[P(o-tol)(3)](p-C(6)H(4)OMe)(HNBn(2))I (24) provided the thermodynamic parameters Delta G(298 K) = -3.1 +/- 0.1 kcal mol(-1), Delta H-298 K = -11.9 +/- 0.1 kcal mol(-1), and Delta S-298 K = 30 +/- 4 eu. Dimers 1-3 also react reversibly with diisopropylamine at 25 degrees C to form the amine adducts Pd[P(o-tol)(3)](p-C(6)H(4)Me)[HN(i-Pr-2)]X (X = Cl (17), K = 14 +/- 3 M(-1); X = Br (19), K = 2.8 +/- 0.5 M(-1); X = I (26), K = 6 +/- 2 x 10(-3) M(-1)), respectively.

  DOI：

  10.1021/om9509608