(2-{2-[2-(2-Phosphono-ethoxy)-ethoxy]-ethoxy}-ethyl)-phosphonic acid

• 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: (2-{2-[2-(2-Phosphono-ethoxy)-ethoxy]-ethoxy}-ethyl)-phosphonic acid
• 英文别名: PEG3-bis(phosphonic acid)；2-[2-[2-(2-phosphonoethoxy)ethoxy]ethoxy]ethylphosphonic acid
• 化学式: C₈H₂₀O₉P₂
• 分子量: 322.189
• InChiKey: QSULJYOIONNJQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  143
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [2-(2-{2-[2-(Diethoxy-phosphoryl)-ethoxy]-ethoxy}-ethoxy)-ethyl]-phosphonic acid diethyl ester 在 水 作用下， 生成 (2-{2-[2-(2-Phosphono-ethoxy)-ethoxy]-ethoxy}-ethyl)-phosphonic acid
  参考文献：
  名称：

  Shaping Solid-State Supramolecular Cavities: Chemically Induced Accordionlike Movement ofγ-Zirconium Phosphate Containing Polyethylenoxide Pillars

  摘要：

  The hydrophilic oxygen atoms of polyethylenoxide chains inserted as pillars in gamma-zirconium phosphate form hydrogen bonds with the acid groups of the host. As a result the pillars are almost perpendicular to the gamma layers. Upon changing the pH level of the supernatant solution the hydrogen bonds are broken and the pillars become almost perpendicular to the layers (shown schematically). Thus there is a reversible enlargement-shortening of the interlayer space.

  DOI：

  10.1002/(sici)1521-3773(19991115)38:22<3351::aid-anie3351>3.0.co;2-v

文献信息

• Polyether bis-phosphonic acid compounds
  申请人：W.R. Grace & Co.-Conn.

  公开号：EP0368154A1

  公开（公告）日：1990-05-16

  Polyether bis-phosphonic acid compounds are disclosed which have the formula (HO)2OP-R-(OR')n-OR-PO-(OH)2 where R is selected from the group consisting of methylene and ethylene, R is selected from the group consisting of ethylene and ethylene substituted with one or more methyl groups, and n is an integer from 1 to 4, water soluble salts thereof, and esters thereof with alkyl groups having from 1 to 6 carbon atoms. Also disclosed is a novel preparation of certain of these compounds by reacting certain hydroxyalkylphosphonic acid dialkyl ester compounds with certain 2-benzyloxyalkyl organic sulfonates; reacting the intermediate formed therefrom with hydrogen or a hydrogen source; reacting the intermediate formed therefrom with a hydrogen ion acceptor and certain sulfonyl chlorides; and reacting the intermediate formed therefrom with certain hydroxyalkylphosphonic acid dialkyl ester compounds to form a polyether bis-phosphonic acid compound which may be hydrolyzed to form the polyether bis-phosphonic acid. Useful intermediates are disclosed which have the formulas HOR'-OR-PO(OR")2, HOR'-OR-PO(OH)2, and X-02S-OR'-OR-PO(OR")2, wherein the above-indicated benzene rings of said formulas are optionally substituted with selected groups, wherein R and R are as defined above, wherein R" is an alkyl group having from 1 to 6 carbon atoms, and wherein X is selected from and alkyl groups having from about 1 to 6 carbon atoms.

  本发明公开了聚醚双膦酸化合物，其式为(HO)2OP-R-(OR')n-OR-PO-(OH)2，其中R选自由亚甲基和亚乙基组成的组，R选自由亚乙基和被一个或多个甲基取代的亚乙基组成的组，n为1至4的整数。本发明还公开了上述某些化合物的一种新型制备方法：将某些羟基烷基膦酸二烷基酯化合物与某些 2-苄氧基烷基有机磺酸盐反应；将由此形成的中间体与氢或氢源反应；将由此形成的中间体与氢离子接受体和某些磺酰氯反应；以及 将由此形成的中间体与某些羟基烷基膦酸二烷基酯化合物反应，形成聚醚双膦 酸化合物，该化合物可水解形成聚醚双膦酸。已公开的有用的中间体的分子式为 HOR'-OR-PO(OR")2、HOR'-OR-PO(OH)2 和 X-02S-OR'-OR-PO(OR")2，其中上述式子的苯环任选被所选基团取代，其中 R 和 R 如上定义，其中 R "是具有 1 至 6 个碳原子的烷基，X 选自 和具有约 1 至 6 个碳原子的烷基。
• US5312953A
  申请人：——

  公开号：US5312953A

  公开（公告）日：1994-05-17
• US5266722A
  申请人：——

  公开号：US5266722A

  公开（公告）日：1993-11-30