trans-[PdCl2(NH2CMe2CH2C6H4I-2)2] | 871258-03-6

• 英文名称: trans-[PdCl2(NH2CMe2CH2C6H4I-2)2]
• CAS: 871258-03-6
• 化学式: C₂₀H₂₈Cl₂I₂N₂Pd
• 分子量: 727.591
• InChiKey: SENXJGSYDFKCMS-UHFFFAOYSA-L

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-[PdCl2(NH2CMe2CH2C6H4I-2)2] 、 邻菲罗啉 以 二氯甲烷 为溶剂， 以89%的产率得到二氯(1,10-亚铁试剂)钯(II)
  参考文献：
  名称：

  Regiospecific Functionalization of Pharmaceuticals and Other Biologically Active Molecules through Cyclopalladated Compounds. 2-Iodination of Phentermine and l-Tryptophan Methyl Ester

  摘要：

  Phentermine hydrochloride ((PhCH2CMe2NH3)Cl) or L-tryptophan methyl ester hydrochloride ([C8H6NCH2CH(CO2Me)NH3]Cl) reacts with Pd(OAc)(2) in a 1:1 molar ratio to give the cyclometalated complex [Pd-2(kappa(2)-C,N-C6H4CH2CMe2NH2-2)(2)(Y-Cl)(2)] (1) or (S,S)-[Pd-2{kappa(2)-C,N- C8H5NCH2CH(CO2Me)NH2-2}(2)(mu-Cl)(2)] (2), respectively. Reaction of 1 or 2 with iodine affords trans-[PdC](2)(NH2CMe2CH2C6H4I-2)(2)] (3) or trans-(S,S)-[PdCl2{NH2CH(CO2Me)CH2C8H5NI-2}(2)] (4), which further reacts with 1,10-phenanthroline to give [PdCl2(phen)] and the free amine 2-I-phentermine (5) or (S)-2-I-tryptophan methyl ester (6) (overall yields 44 and 51%, respectively, considering phentermine and L-tryptophan methyl ester as starting materials). The crystal structure of complex 3 has been determined by X-ray diffraction studies.

  DOI：

  10.1021/om0506522
• 作为产物：
  描述：

  [Pd₂(C,N-C₆H₄CH₂CMe₂NH₂-2)₂(μ-Cl)₂] 、 碘 以 二氯甲烷 为溶剂， 以70%的产率得到trans-[PdCl2(NH2CMe2CH2C6H4I-2)2]
  参考文献：
  名称：

  Regiospecific Functionalization of Pharmaceuticals and Other Biologically Active Molecules through Cyclopalladated Compounds. 2-Iodination of Phentermine and l-Tryptophan Methyl Ester

  摘要：

  Phentermine hydrochloride ((PhCH2CMe2NH3)Cl) or L-tryptophan methyl ester hydrochloride ([C8H6NCH2CH(CO2Me)NH3]Cl) reacts with Pd(OAc)(2) in a 1:1 molar ratio to give the cyclometalated complex [Pd-2(kappa(2)-C,N-C6H4CH2CMe2NH2-2)(2)(Y-Cl)(2)] (1) or (S,S)-[Pd-2{kappa(2)-C,N- C8H5NCH2CH(CO2Me)NH2-2}(2)(mu-Cl)(2)] (2), respectively. Reaction of 1 or 2 with iodine affords trans-[PdC](2)(NH2CMe2CH2C6H4I-2)(2)] (3) or trans-(S,S)-[PdCl2{NH2CH(CO2Me)CH2C8H5NI-2}(2)] (4), which further reacts with 1,10-phenanthroline to give [PdCl2(phen)] and the free amine 2-I-phentermine (5) or (S)-2-I-tryptophan methyl ester (6) (overall yields 44 and 51%, respectively, considering phentermine and L-tryptophan methyl ester as starting materials). The crystal structure of complex 3 has been determined by X-ray diffraction studies.

  DOI：

  10.1021/om0506522