(1r,3R,5S,7r)-1-methyl-1,3,5-triaza-7-phosphaadamantan-1-ium chloride | 256399-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (1r,3R,5S,7r)-1-methyl-1,3,5-triaza-7-phosphaadamantan-1-ium chloride
• CAS: 256399-61-8
• 化学式: C₇H₁₅N₃P*Cl
• 分子量: 207.643
• InChiKey: VPJGSIHNEVPSCD-NJJJQDLFSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.69
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.48
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [RuCl2(hexamethylbenzene)]2 、 (1r,3R,5S,7r)-1-methyl-1,3,5-triaza-7-phosphaadamantan-1-ium chloride 以 四氢呋喃 为溶剂， 反应 24.0h， 以77%的产率得到
  参考文献：
  名称：

  Catalytic isomerization of allylic alcohols promoted by complexes [RuCl2(η6-arene)(PTA-Me)] under homogeneous conditions and supported on Montmorillonite K-10

  摘要：

  The mononuclear arene-ruthenium(II) derivatives [RuCl2(eta(6)-arene)(PTA-Me)] (arene = C6H6 (3a), p-cymene (3b), 1,3,5-C6H3Me3 (3c), C6Me6 (3d)), containing the ionic phosphine ligand 1-methyl-3,5-diaza-1-azonia-7-phosphaadamantane chloride (PTA-Me), have been synthesized and fully characterized. These complexes were evaluated as potential catalysts for the redox isomerization of allylic alcohols. Among them, best results in terms of activity were obtained with complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) which, in combination with K2CO3 (2.5 equiv. per Ru), was able to selectively isomerize a number of allylic alcohols RCH(OH)CH=CH2 (R = H, aryl, alkyl or heteroaryl group) into the corresponding carbonyl compounds RC(=O)CH2CH3 in refluxing THF (TOF values up to 800 h(-1)). Complex [RuCl2(eta(6)-C6H6)(PTA-Me)] (3a) was adsorbed onto the Montmorillonite K-10 clay, and the resulting solid proved also active in the isomerization of the model substrate 1-octen-3-ol. In addition, it could be easily separated from the reaction media by simple filtration and reused several times (up to 11 consecutive runs) with retention of its efficiency. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2012.10.025

文献信息

• Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide:  A Combined Mass Spectrometric and Theoretical Study
  作者：Antoine Dorcier、Paul J. Dyson、Christian Gossens、Ursula Rothlisberger、Rosario Scopelliti、Ivano Tavernelli

  DOI：10.1021/om049022a

  日期：2005.4.1

  A series of ruthenium(II) and osmium(II) p-cymene dichloride complexes with either a pta (1,3,5-triaza-7-phosphatricyclo[3.3.1.1]decane) or [pta-Me]Cl ligand which exhibit anticancer activity have been prepared and characterized by 1H and 31P NMR spectroscopy and mass spectrometry. Three of the complexes, viz. [Os(η6-p-cymene)Cl2(pta)] and [M(η6-p-cymene)Cl2(pta-Me)]Cl (M = Ru, Os), have also been

  一系列具有PTA href=https://www.molaid.com/MS_164855 target="_blank">TA（1,3,5-triaza-7-phOSphatritricyclo [3.3.1.1] decane）或[PTA href=https://www.molaid.com/MS_164855 target="_blank">TA-Me] Cl配体的对氯苯甲基二氯化钌（II）和cy （II）配合物已经制备了抗癌活性并通过1 H和31 P NMR光谱和质谱进行了表征。三种配合物，即。[OS（η 6 - p -cymene）氯2（PTA）]和[M（η 6 - p -cymene）氯2（PTA-ME）]氯（M =钌，锇），也被其特征在于，单-晶体X射线衍射。PTA href=https://www.molaid.com/MS_164855 target="_blank">TA复合物是选择性抗癌药，而PTA href=https://www.molaid.com/MS_164855 target="_blank">TA-Me +这些复合物是不加区别的，会损害癌细胞和健康细胞，但代表了与药物活性有关的质子化的PTA href=https://www.molaid.com/MS_164855 target="_blank">TA加合物的模型。为了建立它们的生物学活性和它们对DNA的影响（可能的体内靶标）之间的联系，使用电喷雾电离质谱研究了复合物对14-mer寡核苷酸（5'-ATACATGGTACATA-3'）的反应性。发现复合物与寡核