1,4-phenylenebis(methylidyne)tetrakis(phosphonic acid) | 108928-89-8

• 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
• 英文名称: 1,4-phenylenebis(methylidyne)tetrakis(phosphonic acid)
• 英文别名: 1,4-phenylenbis(methylidyne)tetrakis(phosphonic acid)；(1,4-Phenylenedimethylidyne)tetrakisphosphonic acid；[[4-(diphosphonomethyl)phenyl]-phosphonomethyl]phosphonic acid
• CAS: 108928-89-8
• 化学式: C₈H₁₄O₁₂P₄
• 分子量: 426.087
• InChiKey: IVIVPEVEOQYMDE-UHFFFAOYSA-N

物化性质

• 沸点：
  991.8±75.0 °C(Predicted)
• 密度：
  2.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.5
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  230
• 氢给体数：
  8
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  dysprosium(III) nitrate hexahydrate 、 1,4-phenylenebis(methylidyne)tetrakis(phosphonic acid) 以 水 为溶剂， 生成 Dy2(1,4-phenylenebis(methylidyne)tetrakis(phosphonate)(6-))
  参考文献：
  名称：

  1,4-Phenylenebis(methylidyne)tetrakis(phosphonic acid): A New Building Block in Metal Organic Framework Synthesis

  摘要：

  Through the use of a synthetic high-throughput approach, 1,4-phenylenebis(methylidyne)-tetrakis(phosphonic acid), H8L, was investigated as a molecular building block for the formation of coordination frameworks with lanthanides (Ln = La, Nd, Gd, Dy) under hydrothermal conditions. Thereby, 14 new lanthanide phosphonates were discovered, categorized into three structure types, and their crystallization fields described. Structure type I comprises six compounds with the general formula Ln(H5L). The examples of Ln[(PO3H)(2)CH-C6H4-CH(PO3H)(PO3H2)]center dot 4H(2)O, where Ln = La, and Nd, reveal. two-dimensional coordination networks having a layered structure but differ in the layer stacking. Structure type II comprises four compounds of the general formula Ln(2)(H2L) and is represented by La-2[(HO3P)(O3P)CH-C6H4-CH(PO3)(PO3H)] center dot 8H(2)O, a layered structure with dimeric lanthanum coordination polyhedra. Four compounds of the type NaLn(H4L) are in stucture type III, which was solved from LaNa[(PO3H)(2)CH-C6H4-CH(PO3H)(2)]center dot 4H(2)O. This structure consists of a three-dimensional open framework with La3+ coordinated by bisphosphonate units in an exclusively bidentate fashion. It has a one-dimensional rhombic channel system that is occupied by sodium ions and water molecules acting as guests.

  DOI：

  10.1021/ic802294e
• 作为产物：
  描述：

  [[[4-[bis[bis(trimethylsilyloxy)phosphoryl]methyl]phenyl]-bis(trimethylsilyloxy)phosphorylmethyl]-trimethylsilyloxyphosphoryl]oxy-trimethylsilane 生成 1,4-phenylenebis(methylidyne)tetrakis(phosphonic acid)
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Phosphonic acid derivatives useful as anti-inflammatory agents
  申请人：THE UPJOHN COMPANY

  公开号：EP0622373A1

  公开（公告）日：1994-11-02

  Novel 1,2-oxaphosphepins are useful as antiinflammatory and antiarthritic agents. A representative oxaphosphepin is 3,4-dihydro-3-methoxy-7-(phenylmethoxy)-1H-naphth[1,8de][1,2]oxaphosphepin-3-oxide.

  小说1,2-氧磷环烷可用作抗炎和抗关节炎药物。代表性的氧磷环烷是3,4-二氢-3-甲氧基-7-(苯甲氧基)-1H-萘[1,8de][1,2]氧磷环烷-3-氧化物。
• Exceptional Ion-Exchange Selectivity in a Flexible Open Framework Lanthanum(III)tetrakisphosphonate
  作者：Monika Plabst、Lynne B. McCusker、Thomas Bein

  DOI：10.1021/ja904636y

  日期：2009.12.23

  ICP-OES elemental analysis revealed that ion exchange was successful with monovalent ions, while higher-valent ions were rejected. An explanation for this charge selectivity could be found in the site-specific role of the guest cation. X-ray diffraction and thermogravimetric studies on the reversible hydration and dehydration behavior demonstrate that NaLa(H(4)L) has a flexible framework. Contraction of

  柔性、阴离子、开放框架材料 NaLa[(PO(3)H)(2)CH-C(6)H(4)-CH(PO(3)H)(2)].4H(2)O (NaLa(H(4)L)) 对一价金属阳离子表现出特殊的选择性。这项研究阐明了离子交换行为与这种最近发现的材料的框架灵活性之间的关系。研究了 NaLa(H(4)L) 中的 Na(+) 离子与碱土、碱性和选定的过渡金属离子的交换。EDX 和 ICP-OES 元素分析表明，单价离子的离子交换是成功的，而更高价的离子被拒绝。这种电荷选择性的解释可以在客体阳离子的特定位点作用中找到。X 射线衍射和热重研究可逆水合和脱水行为表明 NaLa(H(4)L) 具有灵活的框架。脱水时通道的收缩导致细胞体积减少 15%。Rietveld 对脱水形式 NaLa(H(4)L)(dehyd) 结构的细化揭示了客体阳离子在通道收缩机制中的关键作用。在水合、扩展的形式中，每个 Na(+) 离子客体与一个
• ——
  作者：BRITTELLI D. R.

  DOI：——

  日期：——
• US4268459A
  申请人：——

  公开号：US4268459A

  公开（公告）日：1981-05-19
• US5298498A
  申请人：——

  公开号：US5298498A

  公开（公告）日：1994-03-29