trans-[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)Cl(CNXy)2] | 1019213-25-2

• 英文名称: trans-[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)Cl(CNXy)2]
• CAS: 1019213-25-2
• 化学式: C₂₇H₂₇ClN₄O₇Pd
• 分子量: 661.407
• InChiKey: XIZACNWRBAGKSJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  trans-[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)Cl(CNXy)2] 在 Tl(CH₃C(O)CHC(O)CH₃) 作用下， 以 not given 为溶剂， 生成 trans-[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)2(CNXy)2]
  参考文献：
  名称：

  Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg

  摘要：

  The reaction of [Pd(kappa(2)-Ar)(O,O-acac)] (kappa(2)-Ar = kappa(2)-C, O-C-6(NO2)(2)-2,6-(OMe); 1) with 1 equiv of RNC gives [Pd(kappa(2)-Ar)(O,O-acac)(CNR)] [R = Xy (2a), Bu-t (2b)] and with 4 equiv of XyNC, trans-[Pd(kappa(1)-Ar)(2)(CNXy)(2)] (K-1-Ar = kappa(1)-C-C-6(NO2)(2)-2,6-(OMe); 3). This complex has also been obtained (1) by reacting T1(acac) with 1 equiv of trans-[Pd(kappa(1)-Ar)Cl(CNXy)(2)] (4), obtained in turn by reacting trans-(NMe4)(2)[Pd(kappa(1)-Ar)Cl(mu-Cl)](2) (5),with 4 equiv of XyNC or (2) by reacting [Pd(K1-Ar)(C-acac)(phen)] (6) with 4 equiv of XyNC. cis-[Pt(kappa(2)-Ar)(kappa(1)-Ar)(PPh3)] (7) reacts (1) with Hg(OAc)(2) (1:1) to afford a mixture of [Hg(Ar)(OAc)], cis-[{Pt(kappa(1)-Ar)(PPh3)}(2)(mu-OH)(mu-OAc)] (8), and trans-[{Pt(kappa(1)-Ar)(PPh3)](2)(mu-OH)(2)] (9) or (2) with HgCl2 (1:1) to give trans-[{Pt(kappa(1)-Ar)(PPh3)}(2)(mu-Cl)(2)] (10), which reacts with an excess of Ag(OAc) to give 8. The reaction of 10 with excess of KOH, or with Tl(acac) (1: 1) gives 9. Reaction of palladium complex 5 with 2 equiv of Hg(OAc)(2) affords trans-[Pd(kappa(2)-Ar)(mu-OAc)](2) (11). The crystal structures of 2a, 2b, 3, 5, 8, 9, and 11 have been determined.

  DOI：

  10.1021/om701077y
• 作为产物：
  描述：

  (NMe4)2[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)Cl(μ-Cl)]2*0.5Me2CO 、 2,6-二甲基苯基异腈 以 二氯甲烷 为溶剂， 以55%的产率得到trans-[Pd(κ1-C-C6(NO2)2-2,6-(OMe)3)Cl(CNXy)2]
  参考文献：
  名称：

  Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg

  摘要：

  The reaction of [Pd(kappa(2)-Ar)(O,O-acac)] (kappa(2)-Ar = kappa(2)-C, O-C-6(NO2)(2)-2,6-(OMe); 1) with 1 equiv of RNC gives [Pd(kappa(2)-Ar)(O,O-acac)(CNR)] [R = Xy (2a), Bu-t (2b)] and with 4 equiv of XyNC, trans-[Pd(kappa(1)-Ar)(2)(CNXy)(2)] (K-1-Ar = kappa(1)-C-C-6(NO2)(2)-2,6-(OMe); 3). This complex has also been obtained (1) by reacting T1(acac) with 1 equiv of trans-[Pd(kappa(1)-Ar)Cl(CNXy)(2)] (4), obtained in turn by reacting trans-(NMe4)(2)[Pd(kappa(1)-Ar)Cl(mu-Cl)](2) (5),with 4 equiv of XyNC or (2) by reacting [Pd(K1-Ar)(C-acac)(phen)] (6) with 4 equiv of XyNC. cis-[Pt(kappa(2)-Ar)(kappa(1)-Ar)(PPh3)] (7) reacts (1) with Hg(OAc)(2) (1:1) to afford a mixture of [Hg(Ar)(OAc)], cis-[{Pt(kappa(1)-Ar)(PPh3)}(2)(mu-OH)(mu-OAc)] (8), and trans-[{Pt(kappa(1)-Ar)(PPh3)](2)(mu-OH)(2)] (9) or (2) with HgCl2 (1:1) to give trans-[{Pt(kappa(1)-Ar)(PPh3)}(2)(mu-Cl)(2)] (10), which reacts with an excess of Ag(OAc) to give 8. The reaction of 10 with excess of KOH, or with Tl(acac) (1: 1) gives 9. Reaction of palladium complex 5 with 2 equiv of Hg(OAc)(2) affords trans-[Pd(kappa(2)-Ar)(mu-OAc)](2) (11). The crystal structures of 2a, 2b, 3, 5, 8, 9, and 11 have been determined.

  DOI：

  10.1021/om701077y