ethane-1,1,2-triphosphonic acid | 25356-20-1

• 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: ethane-1,1,2-triphosphonic acid
• 英文别名: ethane-1,1,2-trisphosphonic acid；1,2-diphosphonoethylphosphonic acid
• CAS: 25356-20-1
• 化学式: C₂H₉O₉P₃
• 分子量: 270.009
• InChiKey: SFRLSTJPMFGBDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  173
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ethane-1,1,2-trisphosphonic acid hexaethyl ester 在 盐酸 作用下， 反应 16.0h， 以88%的产率得到ethane-1,1,2-triphosphonic acid
  参考文献：
  名称：

  Ethane-1,1,2-trisphosphonic acid hemihydrate

  摘要：

  Ethane-1,1,2-trisphosphonic acid crystallizes as a hemihydrate, C2H9O9P3 center dot 0.5H(2)O, in which the water O atom lies on an inversion centre in the space group P2(1)/c. The acid component, which contains a short but noncentred O-H center dot center dot center dot O hydrogen bond, adopts a gauche conformation. The acid components are linked by an extensive series of O-H center dot center dot center dot O hydrogen bonds to form layers, which are linked into pairs by the water molecules.

  DOI：

  10.1107/s0108270107064098

文献信息

• Self-extinguishing polymeric compositions
  申请人：Ministero Dell `Universita` e Della Ricerca Scientifica e Technologica

  公开号：US05302640A1

  公开（公告）日：1994-04-12

  Self-extinguishing, thermoplastic, polymeric compositions comprising a phhorus derivative and condensation compounds obtained by polymerizing polyaminic compositions essentially constituted by derivatives of 2,4,6-triamino-1,3,5-triazine, having the general formula (I): ##STR1## with aldehydes, preferably formaldehyde.

  自熄灭、热塑性、聚合物组成的磷衍生物和通过聚合基本上由2,4,6-三氨基-1,3,5-三嗪衍生物组成的聚氨酸组成的缩合化合物的热塑性聚合物组成物，其具有通式(I)的结构：##STR1##与醛反应，优选为甲醛。
• Metal Complexes of Ethane and Propane Frame-Substituted Oligophosphonic and Oligophosphonocarboxylic Acids
  作者：Cs. Bogdán、G. Péczely、G. Hägele

  DOI：10.1080/10426500701441465

  日期：2008.9.5

  The stability constants of the complexes of one oligophosphonic acid (ethane1,1,2-triphosphonic acid 1), five phosphonocarboxylic acids (ethane-1,2-diphosphono1-carboxylic acid 2, propane-1,1-diphosphono-2,3-dicarboxylic acid 3, ethane1,2-diphosphono-1,2-dicarboxylic acid 4, ethane-1-phosphono-1,2-dicarboxylic acid 5, and propane-1-phosphono-1,2,3- tricarboxylic acid 6), and ethane-1,1,2tricarboxylic acid 7 with Cu(2+), Ni(2+), Zn(2+), Cd(2+) and Ca(2+) were determined by pH-metric titrations. The six ligands of type HNL (N= 4-6) form mononuclear MLHn (n = 0, 1,..., N-1) complexes with chelate structure. The calcium complexes seem to be less stable than the transition metal complexes.
• Michael addition of phosphorus derivatives on tetraethyl ethylidenediphosphonate
  作者：Lise Delain-Bioton、Adele Turner、Nicolas Lejeune、Didier Villemin、Gary B. Hix、Paul-Alain Jaffrès

  DOI：10.1016/j.tet.2005.04.045

  日期：2005.7

  Nucleophilic phosphorus add to tetraethyl ethylidene diphosphonate in protic solvent to yield the product of the Michael reaction. This reaction appeared to be reversible at a temperature upper than 160 degrees C. To avoid this reverse reaction, alkylation in g. position of the two phosphonate functions by activated elecrophile is reported. (c) 2005 Elsevier Ltd. All rights reserved.
• Ethane-1,1,2-trisphosphonic acid hemihydrate
  作者：Lise Delain-Bioton、Jean-François Lohier、Didier Villemin、Jana Sopková-de Oliveira Santos、Gary Hix、Paul-Alain Jaffrès

  DOI：10.1107/s0108270107064098

  日期：2008.2.15

  Ethane-1,1,2-trisphosphonic acid crystallizes as a hemihydrate, C2H9O9P3 center dot 0.5H(2)O, in which the water O atom lies on an inversion centre in the space group P2(1)/c. The acid component, which contains a short but noncentred O-H center dot center dot center dot O hydrogen bond, adopts a gauche conformation. The acid components are linked by an extensive series of O-H center dot center dot center dot O hydrogen bonds to form layers, which are linked into pairs by the water molecules.