[(丙基亚胺)二(亚甲基)]二膦酸 | 5995-27-7

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 中文名称: [(丙基亚胺)二(亚甲基)]二膦酸
• 中文别名: 4-吗啉乙醇,2-环己基-3-甲基-
• 英文名称: propylamino-N,N-bis(methylphosphonic acid)
• 英文别名: N-propyliminodimethylenediphosphonic acid；N-PDMPA；[(Propylimino)bis(methylene)]diphosphonic acid；Bis--propyl-amin；((Propylimino)bis(methylene))diphosphonic acid；[phosphonomethyl(propyl)amino]methylphosphonic acid
• CAS: 5995-27-7
• 化学式: C₅H₁₅NO₆P₂
• 分子量: 247.125
• InChiKey: HSEVIBLFMJQZMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.6
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  118
• 氢给体数：
  4
• 氢受体数：
  7

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	N-propyl-N-phosphonomethyleneamine	77891-50-0	C4H12NO3P	153.118

反应信息

• 作为反应物：
  描述：

  [(丙基亚胺)二(亚甲基)]二膦酸 在 硝酸 作用下， 以 水 为溶剂， 以27%的产率得到N-propyl-N-phosphonomethyleneamine
  参考文献：
  名称：

  Strunin, B. P.; Khizbullin, F. F., Journal of general chemistry of the USSR, 1989, vol. 59, # 3.1, p. 477 - 481

  摘要：

  DOI：
• 作为产物：
  描述：

  NN-bis(phosphonomethylene)-α-aminobutyric acid 在 硝酸 作用下， 以 水 为溶剂， 生成 [(丙基亚胺)二(亚甲基)]二膦酸
  参考文献：
  名称：

  Strunin, B. P.; Khizbullin, F. F., Journal of general chemistry of the USSR, 1989, vol. 59, # 3.1, p. 477 - 481

  摘要：

  DOI：

文献信息

• Two new supramolecular metal diphosphonates: Synthesis, characterization, crystal structure and inhibiting effects on metallic corrosion
  作者：Khodayar Gholivand、Rouhollah Yaghoubi、Alireza Farrokhi、Shahram Khoddami

  DOI：10.1016/j.jssc.2016.07.027

  日期：2016.11

  Abstract Two new divalent metal(II) aminodiphosphonates with layered structure, namely, Cu(H3L1)2·2H2O (1), [H4L1=methyl-N(CH2PO3H2)2] and Cd2(H2L2)4(2), [H4L2=n-propyl-N(CH2PO3H2)2] were synthesized and characterized. The Cu(II) ions in complex 1 are octahedrally coordinated by four oxygen atoms from two chelating ligands and two phosphonate oxygen atoms from two neighboring Cu(H3L1)2 units. The Cu(H3L1)2

  摘要 两种具有层状结构的新型二价金属(II)氨基二膦酸盐，即Cu(H3L1)2·2H2O(1)、[H4L1=甲基-N(CH2PO3H2)2]和Cd2(H2L2)4(2)、[H4L2=合成并表征了正丙基-N(CH2PO3H2)2]。配合物 1 中的 Cu(II) 离子由来自两个螯合配体的四个氧原子和来自两个相邻 Cu(H3L1)2 单元的两个膦酸氧原子八面体配位。Cu(H3L1)2 单元通过桥接膦酸盐基团相互连接，形成二维金属膦酸盐层。配合物 2 的结构包含两个独特的 Cd(II) 离子，由来自四个 H2L2 二膦酸阴离子的六个膦酸氧原子八面体配位。为了研究外加Cd/H4L2和Cu/H4L1（1：1 比率）对碳钢腐蚀速率的影响。发现在 pH 值为 3.0 时，Cd/H4L2 或 Cu/H4L1 组合对碳钢没有明显的缓蚀效率。相反，在 pH 7.0 时，Cd/H4L2 的缓蚀效率更高。应用扫描电子显微镜
• The Direct Synthesis of α-Aminomethylphosphonic Acids. Mannich-Type Reactions with Orthophosphorous Acid
  作者：Kurt Moedritzer、Riyad R. Irani

  DOI：10.1021/jo01343a067

  日期：1966.5
• Study on the synergistic antibacterial effect of silver-carried layered zirconium alkyl-N,N-dimethylenephosphonate
  作者：Li Liu、Changhua Liu、Ling Nie、Ting Jiang、Jing Hong、Xiaomei Zhang、Liehong Luo、Xiaolan Wang

  DOI：10.1016/j.ica.2015.06.002

  日期：2015.8

  A series of zirconium alkyl-N,N-dimethylenephosphonate silver-carrying (Ag-ZRDP) were successfully prepared and their potential applications as synergistic antibacterial materials were investigated. Silver nanoparticles (Ag NPs), of 30 nm in diameter, were tightly anchored onto the zirconium alkyl-N,N-dimethylenephosphonate (ZRDP), increasing the antibacterial activity of the Ag NPs due to a decrease in the extent of nanoparticle aggregation. Due to the synergistic antibacterial effect of the Ag NPs and ZRDP, the Ag-ZRDP showed a better antibacterial activity than Ag NPs and ZRDP with a minimal inhibition concentration (MIC) of 0.25 and 0.25 mu g mL (1) against Escherichia coli and Staphylococcus aureus, respectively. Additionally, the Ag-ZRDP did not show obvious cytotoxicity against mammalian cells (A549 cells), even at a concentration of 256 mu g mL (1). Collectively, these properties make the newly synthesized Ag-ZRDP potentially superior as disinfectants and antiseptics for various biomedical and biotechnological applications. (C) 2015 Elsevier B.V. All rights reserved.
• Synthesis, electrochemical and classical evaluation of the antioxidant activity of three α-aminophosphonic acids: Experimental and theoretical investigation
  作者：Mouna Mehri、Nadjib Chafai、Louiza Ouksel、Khalissa Benbouguerra、Abdelkader Hellal、Salah Chafaa

  DOI：10.1016/j.molstruc.2018.05.074

  日期：2018.11

  Three alpha-aminophosphonic acids; namely N-Ethyliminodimethylenediphosphonic acid (N-EDMPA), N-Propyliminodimethylenediphosphonic acid (N-PDMPA) and Ethylenediamine-tetrakis(methylene phosphonic acid) (EDTMP), were synthesized by the reaction of various primary amines, paraformaldehyde and phosphorous acid in acidic medium via Moedritzer-lrani reaction. The structures of the cited compounds were confirmed by UV-Vis, FT-IR, H-1 NMR, C-13 NMR and P-31 NMR spectra. The investigated compounds were screened for their antioxidant activity by mean of the free radical scavenging activity using 1,1-Diphenyl-2-Picryl Hydrazyl (DPPH) and Cyclic Voltammetry (CV) methods. The obtained values of the 50% inhibitory concentration (IC50), show that N-PDMPA exhibit greater antioxidant activity and the order of the antioxidant activities of the studied compounds is: EDTMP < N-EDMPA < N-PDMPA. Furthermore, this biological activity is in good correlation with the density functional theory (DFT) calculations. (C) 2018 Elsevier B.V. All rights reserved.
• Preparation, Characterization, and Structure of Zirconium Fluoride Alkylamino-<i>N</i>,<i>N</i>-bis Methylphosphonates:  A New Design for Layered Zirconium Diphosphonates with a Poorly Hindered Interlayer Region
  作者：Umberto Costantino、Morena Nocchetti、Riccardo Vivani

  DOI：10.1021/ja026124o

  日期：2002.7.1

  This paper reports the preparation and characterization of the homologous series of layered zirconium fluoride n-alkylamino-N,N-bis methylphosphonates, of general formula ZrF(O3PCH2)(2)NHCnH2n+1 (n = 1, 2, 3, 4, 5, 6, 8, 9, 10), in which the two phosphonic groups of each diphosphonate building block participate in the assembly of a single lamella, because they are joined to zirconium atoms belonging to the same layer. The crystal structure of one of the series of these zirconium diphosphonates, ZrF(O3PCH2)(2)NHC5H11, has been solved "ab initio" by X-ray powder diffraction data. The structure is monoclinic, space group F2(1)/c. The zwitterionic character of the diphosphonate moiety is a distinctive feature which acts as a structure-orienting factor, generating a layer framework which is different from the other structures known for zirconium phosphates and phosphonates. This compound undergoes a phase transition at 117 degreesC which involves a rearrangement of the interlayer alkyl chains. The structure of the high-temperature phase has been refined by the Rietveld method. Because only one organic residue is associated with two phosphonate tetrahedra, a poorly hindered interlayer region is formed, and alkyl chains bonded to adjacent layers are interdigitated. Preliminary experiments have shown that these compounds are able to intercalate organic molecules, such as n-alkanols, from very dilute water solutions.