[(辛基亚胺)二(亚甲基)]二膦酸 | 5995-31-3

• 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: [(辛基亚胺)二(亚甲基)]二膦酸
• 英文名称: n-octylamino-N,N-bis(methylphosphonic acid)
• 英文别名: N-octylaminedi(methylphosphonic acid)；[(octylimino)bis(methylene)]bisphosphonic acid；Octyl-bis--amin；[octyl(phosphonomethyl)amino]methylphosphonic acid
• CAS: 5995-31-3
• 化学式: C₁₀H₂₅NO₆P₂
• 分子量: 317.259
• InChiKey: YUABCDNZADIENZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  19
• 可旋转键数：
  11
• 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

反应信息

• 作为反应物：
  描述：

  zirconyl chloride octahydrate 、 [(辛基亚胺)二(亚甲基)]二膦酸 、 氢氟酸 以 甲醇 、 水 为溶剂， 生成 zirconium fluoride amino-n-octyl-N,N-bis(methylphosphonate)
  参考文献：
  名称：

  Preparation, Characterization, and Structure of Zirconium Fluoride Alkylamino-N,N-bis Methylphosphonates:  A New Design for Layered Zirconium Diphosphonates with a Poorly Hindered Interlayer Region

  摘要：

  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.

  DOI：

  10.1021/ja026124o
• 作为产物：
  描述：

  聚合甲醛 、 辛胺 在 盐酸 、 亚磷酸 作用下， 以 水 为溶剂， 反应 2.5h， 以80%的产率得到[(辛基亚胺)二(亚甲基)]二膦酸
  参考文献：
  名称：

  有机膦酸类化合物的应用和钙钛矿太阳能电 池薄膜及其制备方法

  摘要：

  本发明涉及太阳能电池薄膜领域，公开了有机膦酸类化合物的应用和钙钛矿太阳能电池薄膜及其制备方法，该应用为式(1)所示的有机膦酸类化合物在制备钙钛矿太阳能电池薄膜中的应用。含有本发明的有机膦酸类化合物的钙钛矿太阳能电池薄膜具有优异的光电转化效率以及能够提高含有该薄膜的太阳能电池的光电转化效率的稳定性，同时能够避免该太阳能电池受到高温、高湿的环境的影响。

  公开号：

  CN107163078B

文献信息

• 有机膦酸类化合物的应用和钙钛矿太阳能电 池薄膜及其制备方法
  申请人：清华大学

  公开号：CN107163078B

  公开（公告）日：2019-09-17

  本发明涉及太阳能电池薄膜领域，公开了有机膦酸类化合物的应用和钙钛矿太阳能电池薄膜及其制备方法，该应用为式(1)所示的有机膦酸类化合物在制备钙钛矿太阳能电池薄膜中的应用。含有本发明的有机膦酸类化合物的钙钛矿太阳能电池薄膜具有优异的光电转化效率以及能够提高含有该薄膜的太阳能电池的光电转化效率的稳定性，同时能够避免该太阳能电池受到高温、高湿的环境的影响。
• 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.
• 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.