[(1,3-bis(α-aminoisopropyl)phenyl-2-yl-κN,κC1,kappa.N')chloropalladium(II)] | 1021447-08-4

• 英文名称: [(1,3-bis(α-aminoisopropyl)phenyl-2-yl-κN,κC1,kappa.N')chloropalladium(II)]
• CAS: 1021447-08-4
• 化学式: C₁₂H₁₉ClN₂Pd
• 分子量: 333.169
• InChiKey: IGRNRTVFFGRRHF-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：

  二氯甲烷 、 三乙基膦 、 [(1,3-bis(α-aminoisopropyl)phenyl-2-yl-κN,κC1,kappa.N')chloropalladium(II)] 以 四氢呋喃 、 甲醇 为溶剂， 生成 dichlorobis(triethylphosphine)palladium(II) 、 [(1,3-bis(α-aminoisopropyl)phenyl-2-yl-κN,κC1,kappa.N')(triethylphosphine)palladium(II)] chloride-dichloromethane (1/2)
  参考文献：
  名称：

  1,3-Bis(α-aminoisopropyl)benzene, meta-C6H4(CMe2NH2)2: An N,N-bridging and N,C,N-cyclometalating ligand

  摘要：

  Saponification of the bis(carbamic acid ester) 1,3-C6H4(CMe2NHCO2Me)(2) (1), made by the addition of methanol to commercial 1,3-C6H4(CMe2NCO)(2), yielded the meta-phenylene-based bis(tertiary carbinamine) 1,3-C6H4(CMe2NH2)(2) (2). Dinuclear [{(eta(4)-1,5-C8H12) RhCl}(2){mu-1,3-C6H4(CMe2NH2)(2)}] (3) resulted from the action of 2 on [{(eta(4)-1,5-C8H12)Rh(mu-Cl)}(2)] in toluene. Combination of 2 with PdCl2 or K-2[PdCl4] gave the dipalladium macrocycle trans, trans-[{mu-1,3-C6H4(CMe2NH2)(2)}(2)(PdCl2)(2)] (4) along with cyclometalated [{2,6-C6H3(CMe2NH2)(2)-kappa N, kappa C-1, kappa N'}PdCl] (5). Substitution of PEt3 for the labile chlorido ligand of 5 afforded [{2,6-C6H3(CMe2NH2)(2)-kappa N,kappa C-1, kappa N'}Pd(PEt3)]Cl (6). The crystal structures of the following compounds were determined: bis(carbamic acid ester) 1, ligand 2 as its bis(trifluoroacetate) salt [1,3-C6H4(CMe2NH3)(2)](O2CCF3)(2), 2. (HAcf)(2), complexes 3 and 6, as well as 1,3-C6H4(CMe2OH)(2) (the diol analogue of 2). (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.08.027
• 作为产物：
  描述：

  1,3-bis-(2-amino-2-propyl)benzene 、 palladium dichloride 以 乙腈 为溶剂， 以72%的产率得到trans,trans-di[(μ-1,3-bis(α-aminoisopropyl)benzene)dichloropalladium(II)]
  参考文献：
  名称：

  1,3-Bis(α-aminoisopropyl)benzene, meta-C6H4(CMe2NH2)2: An N,N-bridging and N,C,N-cyclometalating ligand

  摘要：

  Saponification of the bis(carbamic acid ester) 1,3-C6H4(CMe2NHCO2Me)(2) (1), made by the addition of methanol to commercial 1,3-C6H4(CMe2NCO)(2), yielded the meta-phenylene-based bis(tertiary carbinamine) 1,3-C6H4(CMe2NH2)(2) (2). Dinuclear [{(eta(4)-1,5-C8H12) RhCl}(2){mu-1,3-C6H4(CMe2NH2)(2)}] (3) resulted from the action of 2 on [{(eta(4)-1,5-C8H12)Rh(mu-Cl)}(2)] in toluene. Combination of 2 with PdCl2 or K-2[PdCl4] gave the dipalladium macrocycle trans, trans-[{mu-1,3-C6H4(CMe2NH2)(2)}(2)(PdCl2)(2)] (4) along with cyclometalated [{2,6-C6H3(CMe2NH2)(2)-kappa N, kappa C-1, kappa N'}PdCl] (5). Substitution of PEt3 for the labile chlorido ligand of 5 afforded [{2,6-C6H3(CMe2NH2)(2)-kappa N,kappa C-1, kappa N'}Pd(PEt3)]Cl (6). The crystal structures of the following compounds were determined: bis(carbamic acid ester) 1, ligand 2 as its bis(trifluoroacetate) salt [1,3-C6H4(CMe2NH3)(2)](O2CCF3)(2), 2. (HAcf)(2), complexes 3 and 6, as well as 1,3-C6H4(CMe2OH)(2) (the diol analogue of 2). (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.08.027