[Pd(1,3-propylendiamine)Cl₂] | 28866-70-8

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: [Pd(1,3-propylendiamine)Cl₂]
• 英文别名: palladium(2+);propane-1,3-diamine;dichloride
• CAS: 28866-70-8
• 化学式: C₃H₁₀Cl₂N₂Pd
• 分子量: 251.452
• InChiKey: XFJKMKCZDUNJIU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [Pd(1,3-propylendiamine)Cl₂] 在 KBr 、 Br₂ 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  1,2-二氨基乙烷，1,3-二氨基丙烷和二亚乙基三胺的钯（II，IV）混合价络合物：合成，电子，红外，拉曼和共振拉曼光谱和X射线研究

  摘要：

  [Pd（en）Cl 2 ] [Pd（en）Cl 4 ]，[Pd（en）Br 2 ] [Pd（en）Br 4 ]，[Pd（ tn）Br 2 ] [Pd（tn）Br 4 ]，以及经验式Pd 2（en）2 Br 3 Cl 3的混合价络合物，其中en = 1,2-二氨基乙烷，tn = 1,3-二氨基丙烷，连同其电子，红外，拉曼和共振拉曼光谱一起被报道。此外，第一种具有+1电荷类型的钯配合物[Pd（dien）Br] [Pd（dien）Br 3 ] Br 2的合成和光谱性质，其中dien =二亚乙基三胺。配合物的电子光谱的特征在于强烈的宽间隔带，其波数以Cl> Br的顺序减小。共振拉曼光谱显示泛音级数（v 1 v 1）在轴向X-钯IV -X对称伸缩模式（V 1），在该位于CA。X = Cl且在ca时为260 cm –1。145 cm –1（X = Br）和组合音v 1 v 1 + v n，其中v n是v（Pd–X）赤道拉伸模式，或v

  DOI：

  10.1039/dt9850000815
• 作为产物：
  描述：

  [Pd(1,3-diaminopropane)2]Cl2 在 HCl 作用下， 以 水 为溶剂， 以>99的产率得到[Pd(1,3-propylendiamine)Cl₂]
  参考文献：
  名称：

  1,2-二氨基乙烷，1,3-二氨基丙烷和二亚乙基三胺的钯（II，IV）混合价络合物：合成，电子，红外，拉曼和共振拉曼光谱和X射线研究

  摘要：

  [Pd（en）Cl 2 ] [Pd（en）Cl 4 ]，[Pd（en）Br 2 ] [Pd（en）Br 4 ]，[Pd（ tn）Br 2 ] [Pd（tn）Br 4 ]，以及经验式Pd 2（en）2 Br 3 Cl 3的混合价络合物，其中en = 1,2-二氨基乙烷，tn = 1,3-二氨基丙烷，连同其电子，红外，拉曼和共振拉曼光谱一起被报道。此外，第一种具有+1电荷类型的钯配合物[Pd（dien）Br] [Pd（dien）Br 3 ] Br 2的合成和光谱性质，其中dien =二亚乙基三胺。配合物的电子光谱的特征在于强烈的宽间隔带，其波数以Cl> Br的顺序减小。共振拉曼光谱显示泛音级数（v 1 v 1）在轴向X-钯IV -X对称伸缩模式（V 1），在该位于CA。X = Cl且在ca时为260 cm –1。145 cm –1（X = Br）和组合音v 1 v 1 + v n，其中v n是v（Pd–X）赤道拉伸模式，或v

  DOI：

  10.1039/dt9850000815

文献信息

• Magnetic Circular Dichroism and Electronic Absorption Spectra of Mixed (Amine)(carboxylato) Complexes with the [Pd(N)<i>_n</i>(O)_4–<i>n</i>]-type (<i>n</i>=0–4)
  作者：Kazuhiko Nakayama、Takashi Komorita、Yoichi Shimura

  DOI：10.1246/bcsj.57.2930

  日期：1984.10

  Mixed-ligand [Pd(N)n(O)4–n]-type complexes constituting a long systematic series (n=0–4) were synthesized. Ammonia, ethylenediamine, rac-propylenediamine, trimethylenediamine, glycinate, β-alaninate, acetate, oxalate, and malonate were employed as ligands. Their magnetic circular dichroism (MCD) and electronic absorption spectra were discussed together with the CD spectra of the corresponding optically active complexes. The results strongly suggest that the dispersion of MCD observed in the spin-allowed d-d region is primarily a composite of B terms. Moreover, the MCD in the charge transfer region was found to be qualitatively additive with respect to contributions by the constituent ligands. From a detailed examination of the spin-allowed d-d absorption bands, it is noted that the substitution of an N,O-ligand for an N,N-ligand largely affects neither the band area nor band width whereas that of an O,O-ligand for an N,O-ligand does.

  合成了一系列长链的混合配体[Pd(N)n(O)4–n]-型配合物（n=0-4）。 氨、乙二胺、外消旋丙二胺、三甲基二胺、甘氨酸、β-丙氨酸、乙酸盐、草酸盐和丙二酸盐被用作配体。 讨论了它们的磁圆二色性（MCD）和电子吸收光谱以及相应光学活性配合物的CD光谱。 结果有力地表明，在自旋允许的d-d区域观察到的MCD的分散主要是B项的复合。 此外，在电荷转移区域，MCD被定性为与组成配体的贡献相加。 从对自旋允许的d-d吸收带的详细检查中可以看出，用N,O-配体代替N,N-配体对带面积和带宽度的影响不大，而用O,O-配体代替N,O-配体则会产生影响。
• Synthesis and Isomerism of Mixed (Amine)(carboxylato) Complexes with the [Pd(N)<i>_n</i>(O)_4−<i>n</i>]-type (<i>n</i>=1–4) and Their Circular Dichroism Spectra
  作者：Kazuhiko Nakayama、Takashi Komorita、Yoichi Shimura

  DOI：10.1246/bcsj.57.1240

  日期：1984.5

  A large number of mixed-ligand [Pd(N)n(O)4−n]-type complexes (n=1–4) which contain at least one optically active ligand were synthesized and isolated in a systematic manner. (S)-Propylenediamine, (2S)-N1,N1-diethyl-1,2-propanediamine, and (S)-amino carboxylates were employed as one ligand, which is optically active; ammonia, diamines, amino carboxylates, acetates, and dicarboxylates as the other ligand occupying the remaining coordination sites. Isomerism could be detected in the mixed complexes of an unsymmetrical diamine and an amino carboxylate and has been discussed on the basis of 13C NMR and CD spectra. Moreover, the influence of optically inactive ligands on the vicinal CD spectra has been examined, and also the additivity of vicinal CD contributions of two different optically active ligands has been demonstrated.

  以系统的方式合成和分离了大量含有至少一个光学活性配体的混合配体[Pd(N)n(O)4−n]型配合物(n=1-4)。采用(S)-丙二胺、(2S)-N1,N1-二乙基-1,2-丙二胺和(S)-氨基羧酸盐作为配体，具有光学活性；氨、二胺、氨基羧酸盐、乙酸盐和二羧酸盐作为占据剩余配位位点的其他配体。异构现象可以在不对称二胺和氨基羧酸盐的混合复合物中检测到，并且已经在 13C NMR 和 CD 光谱的基础上进行了讨论。此外，还研究了光学非活性配体对邻位圆二色光谱的影响，并且还证明了两种不同光学活性配体的邻位圆二色贡献的加和性。
• Probing the interaction of new and biologically active Pd(II) complex with DNA/BSA via joint experimental and computational studies along with thermodynamic, NLO, FMO and NBO analysis
  作者：Ashraf Sadat Dorafshan Tabatabai、Effat Dehghanian、Hassan Mansouri-Torshizi

  DOI：10.1007/s10534-022-00362-z

  日期：2022.4

  modeling studies. So, the CT-DNA binding study of this complex was explored using spectrofluorometric as well as spectrophotometric techniques, viscosity and gel electrophoresis experiments. Furthermore, fluorescence, UV–Vis, F\(\ddot\mathrmo}}\)rster resonance energy transfer and circular dichroism studies were carried out for BSA binding. The experimental and computational interaction studies showed

  过渡金属配合物治疗是对抗癌症的有效方法。因此，合成了一种新的过渡金属配合物，配制成 [Pd(1, 3-pn)(acac)]Cl（pn 和 acac 分别代表丙二胺和乙酰丙酮化物），并使用1H NMR、傅里叶变换红外、电子吸收光谱技术以及元素分析和电导率测量。几何优化、前沿分子轨道 (FMO) 分析、分子静电势 (MEP)、自然键轨道 (NBO) 分析和非线性光学 (NLO) 特性通过 B3LYP 水平的密度泛函理论 (DFT) 与 6-311G( d,p)/aug-cc-pVTZ-PP 基组。通过实验初步测定了该金属配合物的抗肿瘤活性和亲脂性，取得了可喜的结果。这鼓励我们研究这种复合物与 DNA 作为趋化药物的主要受体和 BSA 作为循环系统中的转运蛋白的相互作用和结合模式。为此原因，使用实验和计算机内分子建模研究在生理状态下体外评估新制备的复合物的结合。因此，使用荧光分光光度法以及分光光
• Synthesis, characterization and cytotoxicity of platinum(II)/palladium(II) complexes with 1,3-diaminopropane and 4-toluensulfonyl-l-amino acid dianion
  作者：Jinchao Zhang、Lili Ma、Huiru Lu、Yuechai Wang、Shenghui Li、Shuxiang Wang、Guoqiang Zhou

  DOI：10.1016/j.ejmech.2012.09.052

  日期：2012.12

  Eight novel platinum(II)/palladium(II) complexes with 1,3-dap and 4-toluensulfonyl-L-amino acid dianion, [Pt(1,3-dap)(TsalaNO)]center dot 0.5H(2)O (1a), [Pt(1,3-dap)(TsvalNO)] (1b), [Pt(1,3-dap)(TspheNO)] (1c), [Pt(1,3-dap)(TsserNO)] (1d), [Pd(1,3-dap)(TsalaNO)center dot 1.5H(2)O (2a), [Pd(1,3-dap)(TsvalNO)] (2b), [Pd(1,3-dap)(TspheNO)] (2c) and [Pd(1,3-dap)(TsileNO)] (2d) have been synthesized and characterized by elemental analysis, IR, UV, H-1 NMR and mass spectrometry techniques. Crystal structure of the complex 1b has been determined by X-ray diffraction. The cytotoxicity was tested by MTT and SRB assays. The complexes (1a-1d and 2a-2d) exert cytotoxicity against Bel-7402, HL-60, KB and BGC-823, but none of them is more active than cisplatin. The results suggest that metal ions, amino acids and aliphatic N-containing ligands have effect on cytotoxicity, while the IC50 values do not show definite correlation with variation of them. (c) 2012 Elsevier Masson SAS. All rights reserved.
• Synthesis, characterization and cytotoxic activity of palladium (II) dithiocarbamate complexes with α,ω-diamines
  作者：Diego Montagner、Cristina Marzano、Valentina Gandin

  DOI：10.1016/j.ica.2011.07.031

  日期：2011.10

  The polymeric [PdCl(dithiocarbamate)](n) complexes, in which the ligand ion is dimethyldithiocarbamate (DMDT), pyrrolidine dithiocarbamate (PyDT, (CH2)(4)NCS2-) and sarcosine ethyl ester dithiocarbamate (ESDT, EtO2CCH2N(CH3)CS2-), have been reacted with chelating diamines, like ethylenediamine (en) or 1,3-diaminopropane (dap) and long chain diamines, like 1,4-diaminobutane (dab) or 1,7-diaminoheptane (dah). The reaction products depend on either diamine chain length or molar ratio. By operating at PdCl(dithiocarbamate)/diamine molar ratio 1:1 chelating diamines yielded the ionic [Pd(dithiocarbamate)(diamine)]Cl species (diamine = en or dap), whereas with long chain diamines species of the type [Pd(dithiocarbamate)(diamine)](n)Cl-n (diamine = dab or dah) were obtained, in which each Pd(dithiocarbamate)(+) unit binds to the NH2 group of two different molecules, in a network of bridging diamines. At molar ratio 1:0.5, the long chain diamines yielded the binuclear [Pd2Cl2(dithiocarbamate)(2)(diamine)] complexes (diamine = dab or dah), whereas exchange reactions take place generally in the presence of en or dap. The reaction trend is described on the basis of IR and proton NMR spectra. The new dithiocarbamate complexes were preliminarily tested for their cytotoxicity on human cancer cells. (C) 2011 Elsevier B.V. All rights reserved.