1,2-propylenediphosphonic acid | 4672-40-6

• 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: 1,2-propylenediphosphonic acid
• 英文别名: methylethanediyl-bis-phosphonic acid；Methylaethandiyl-di-phosphonsaeure；1,2-Diphosphono-propan；Methylaethandiyl-bis-phosphonsaeure；Propylenediphosphonic acid；1-phosphonopropan-2-ylphosphonic acid
• CAS: 4672-40-6
• 化学式: C₃H₁₀O₆P₂
• mdl: MFCD00050066
• 分子量: 204.056
• InChiKey: DZQCAOQMXPROIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 copper(ll) sulfate pentahydrate 、 sodium molybdate dihydrate 、 1,2-propylenediphosphonic acid 以 水 为溶剂， 以25%的产率得到[(Cu(H2O)2(o-phen))(Cu(o-phen)2)(Mo5O15)(O3PCH2CH2CH2PO3)]*2.5H2O
  参考文献：
  名称：

  A New Class of Organic−Inorganic Hybrid Materials:  Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO₃^2- Family

  摘要：

  The hydrothermal reactions of Cu(SO4). SH2O, MoO2, 1,10-phenanthroline, and the appropriate organodiphosphonate ligand yield organic-inorganic hybrid materials with one- or two-dimensional structures; the presence of cluster building blocks is illustrated by the structure of [{CU(H2O)(2)(o-phen)}{Cu(o-phen)(2)}(Mo5O15)(O3PCH2CH2CH2PO3)].[GRAPHICS]

  DOI：

  10.1021/ic0100018
• 作为产物：
  描述：

  methylethanediyl-bis-phosphonic acid tetraethyl ester 在 盐酸 作用下， 生成 1,2-propylenediphosphonic acid
  参考文献：
  名称：

  Phosphonic Acids. III.¹ Hydroxyl Substituted Propylphosphonic Acids^2,3

  摘要：

  DOI：

  10.1021/ja01628a050

文献信息

• A New Class of Organic−Inorganic Hybrid Materials:  Hydrothermal Synthesis and Structural Characterization of Bimetallic Organophosphonate Oxide Phases of the Mo/Cu/O/RPO₃²^- Family
  作者：Robert C. Finn、Jon Zubieta

  DOI：10.1021/ic0100018

  日期：2001.5.1

  The hydrothermal reactions of Cu(SO4). SH2O, MoO2, 1,10-phenanthroline, and the appropriate organodiphosphonate ligand yield organic-inorganic hybrid materials with one- or two-dimensional structures; the presence of cluster building blocks is illustrated by the structure of [CU(H2O)(2)(o-phen)}Cu(o-phen)(2)}(Mo5O15)(O3PCH2CH2CH2PO3)].[GRAPHICS]
• Phosphonic Acids. III.¹ Hydroxyl Substituted Propylphosphonic Acids^2,3
  作者：Seymour Preis、Terrell C. Myers、Elwood V. Jensen

  DOI：10.1021/ja01628a050

  日期：1955.12