[Pd(η-(C9H4(CH2C6H5)-1-Me2-2,3))(2,2'-bipyridine)]triflate | 321722-19-4

• 英文名称: [Pd(η-(C9H4(CH2C6H5)-1-Me2-2,3))(2,2'-bipyridine)]triflate
• CAS: 321722-19-4
• 化学式: CF₃O₃S*C₂₈H₂₅N₂Pd
• 分子量: 645.01
• InChiKey: GEDFKJXQXPIRDU-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：

  2-丁炔 、 [Pd(C6H4(CHCHPh)-2)Br(2,2'-bipyridine)] 、 三氟甲磺酸铊 以 二氯甲烷 为溶剂， 以73%的产率得到[Pd(η-(C9H4(CH2C6H5)-1-Me2-2,3))(2,2'-bipyridine)]triflate
  参考文献：
  名称：

  Palladium-Assisted Formation of Carbon−Carbon Bonds. 9. Synthesis of (2-Alkenylaryl)- and Indenylpalladium Complexes

  摘要：

  (o-Formylaryl)palladium complexes. [Pd{C6H(CHO)-6-R-3-2,3,4)X(N-N)] [R = OMe; X = Cl; N-N = bpy (2,2'-bipyridine) (la), tmeda (N,N,N',N'-tetramethylethylenediamine) (Ib). R = H; X = Br; N-N = bpy (2a), tmeda (2b)] react with ylides PhCH=PPh3, pyCH=PPh3 (PY = 2-pyridyl), or ClCH=PPh3 to give the (o-alkenylaryl)palladium derivatives [Pd{C6HCH=CHPh-6-(OMe)(3)-2,3,4)Cl(N-N)] [N-N = bpy (3a), N-N = tmeda (3b)], [Pd{C6HCH= CHpy-6-(OMe)(3)-2,3,4}Cl(N-N)] [N-N = bpy (4)], [Pd{C6H(E-CH=CHCl)-6-(OMe)(3)-2,3,4}-Cl(tmeda)] (5), or [Pd(C6H4CH=CHPh-2)Br(N-N)] [N-N = bpy (6a), N-N = tmeda (6b)], The compounds 3a, 4, and 6a,b are obtained as mixtures off and Z isomers, whereas the formation of 3b and 5 is stereoselective (E isomer). The reaction of the (o-acetylaryl)palladium complexes [Pd{C6HC(O)Me-6-(OMe)(3)-2,3,4}Cl(tmeda)] (7) and [Pd{C6H4(C(O)Me)-2}Br(bpy)] (8) with bases results in the formation of the 3-palladaindan-1-ones [Pd(kappa (2)-{C6HC(O)CH2-6-(OMe)(3)-2,3,4})(tmeda)] (9) and [Pd(kappa (2)-{C6H4C(O)CH2-2)(bpy)] (10). Complexes 3b and 6a,b react with alkynes-RC=CR' to give indenylpalladium complexes [Pd{eta -C9HBn-1-R-2-R'-3-(OMe)(3)-5,6,7}(tmeda)]TfO [Bn = benzyl, TfO = CF3SO3, R = R' = Me(11); R = C(O)Me, R' = H (12)] and [Pd{eta -C9H4Bn-1-R-2-R'-3}(N-N)]TfO [R = R' = H, N-N = bpy (13a), tmeda (13b); R = R' = Me, N-N = bpy (14a), tmeda (14b); R = R' = Et, N-N = bpy (15a), tmeda (15b); R = R' = Ph, N-N bpy (16a), tmeda (16b); R = Ph, R' = H and R = H, R' = Ph, N-N = bpy (17a); R = H, R' = Ph, N-N = tmeda (17b); R = Ph, R' = Me, N-N = bpy (18a), N-N = tmeda (18b)]. Complex 3b reacts with Me2C=C=CH2, CS2, or MeN=C=S to give [Pd(eta (3)-CMe2C{C6H(E-CH=CHPh)-6-(OMe)(3)-2,3,4}CH2)(tmeda)]TfO (19), [Pd(S2C{C6H(E-CH=CHPh)-6-(OMe)(3)-2,3,4})(tmeda)]TfO (20), or [Pd(SC(NMe)(C6H(E-CH=CHPh)-6-(OMe)(3)-2,3,4})(tmeda)]TfO (21). The crystal structures of 12, 17b, and 18a have been determined; the hapticities of the indenyl five-membered rings are intermediate between eta (3) and eta (5).

  DOI：

  10.1021/om000370w