methylenebisphosphonic acid P,P'-di(2-ethylhexyl) diester | 180572-58-1

• 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: methylenebisphosphonic acid P,P'-di(2-ethylhexyl) diester
• 英文别名: P,P'-di(2-ethylhexyl) methylenebisphosphonic acid；P,P'-di(2-ethylhexyl)methylenebisphosphonic acid；P,P'-di(2-ethylhexyl)methylenediphosphonic acid；methylenebis(2-ethylhexyl hydrogen phosphonate)；2-Ethylhexoxy-[[2-ethylhexoxy(hydroxy)phosphoryl]methyl]phosphinic acid
• CAS: 180572-58-1
• 化学式: C₁₇H₃₈O₆P₂
• 分子量: 400.433
• InChiKey: FNQBMIBZQAXECF-UHFFFAOYSA-N

物化性质

• 沸点：
  500.3±60.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  25
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  europium(III) nitrate 、 methylenebisphosphonic acid P,P'-di(2-ethylhexyl) diester 以 硝酸 、 异丙醇 、 甲苯 为溶剂， 生成 2Eu⁽³⁺⁾*3CH₂(P(O)2OC₈H₁₇)2^(2-) = [Eu₂(CH₂(P(O)2OC₈H₁₇)2)3]
  参考文献：
  名称：

  P，P'-二（2-乙基己基）甲烷二膦酸及其某些金属配合物的研究

  摘要：

  P，P′-二（2-乙基己基）甲烷二膦酸H 2 DEH [MDP]的铜（II），铁（III），euro（IV）和铀（VI）配合物的制备方法如下与钙和钠盐。通过元素分析，红外光谱和气相渗透压（VPO）对化合物进行表征。红外光谱表明，非对称，ν ASYM（POO - ）和对称，ν符号（POO - ），磷-氧拉伸配体的模型是金属存在于该化合物中的金属离子的性质是敏感的。在戏剧性的变化ν ASYM（POO -）与金属离子的相互作用表明金属-二膦酸酯相互作用的强度范围很广。两者的移位ν ASYM（POO - ）和ν ASYM（POO -1），以较低的能量相对于它们的值以钠盐指示通过螯合物和/或桥接相互作用膦酸酯基团的对称协调。的POO之间的差Δν -拉伸频率，[ ν ASYM（POO - ）- ν ASYM（POO -1）]，随着的金属离子增加离子电位小。

  DOI：

  10.1016/s0277-5387(96)00495-0
• 作为产物：
  描述：

  2-乙基己醇 在 四氮唑 、 三甲基溴硅烷 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 0.75h， 生成 methylenebisphosphonic acid P,P'-di(2-ethylhexyl) diester
  参考文献：
  名称：

  Facile high yielding synthesis of symmetric esters of methylenebisphosphonic acid

  摘要：

  The 1H-tetrazole catalyzed coupling of methylenebis(phosphonic dichloride), CH2(POCl2)(2), with primary alkyl, cyclic secondary alkyl, aromatic, and silicon- and fluorine-containing alcohols selectively affords symmetric P,P'-dialkyl partial esters as wen as homoleptic and mixed tetraesters. Two partial ester intermediates, methylenebis(2-ethylhexyl phosphonic chloride) and 2-ethylhexyl methylenebisphosphonic trichloride, were observed by H-1- and P-31 NMR spectroscopy in the esterification of CH2(POCl2)(2) with 2-ethyl-1-hexanol. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00846-8

文献信息

• A FACILE AND SELECTIVE HIGH YIELD SYNTHESIS OF SYMMETRIC DIALKYL-SUBSTITUTED METHYLENEBISPHOSPHONIC ACIDS
  作者：Dominique C. Stepinski、Albert W. Herlinger

  DOI：10.1081/scc-120006033

  日期：2002.1

  ABSTRACT Symmetric P,P′-dialkyl partial esters of methylenebisphosphonic acid were prepared in high yield and high selectivity from the corresponding acid chloride via a facile two-step, one-pot process. The newly developed synthesis, which does not require chromatographic or acid–base extractive purification, offers substantial advantages over previously used procedures.

  摘要 通过简便的两步一锅法从相应的酰氯以高收率和高选择性制备亚甲基双膦酸的对称 P,P'-二烷基偏酯。新开发的合成不需要色谱或酸碱萃取纯化，与以前使用的程序相比具有很大的优势。
• Synthesis of Symmetrical Methylenebis(Alkyl Hydrogen Phosphonates) by Selective Cleavage of Methylenebis(Dialkyl Phosphonates) with Morpholine
  作者：Gantla Vidyasagar Reddy、Hollie K. Jacobs、Aravamudan S. Gopalan、Richard E. Barrans、Mark L. Dietz、Dominique C. Stepinski、Albert W. Herlinger

  DOI：10.1081/scc-120027271

  日期：2004.1

  c acids has been of recent interest due to their potential therapeutic applications. This paper describes a convenient method to prepare symmetrical methylenebis(alkyl hydrogen phosphonates) by the selective cleavage of the corresponding methylenebis(dialkyl phosphonate) with refluxing morpholine. The effects of structural variations on the amine as well as the substrate have been investigated to understand

  摘要 由于其潜在的治疗应用，亚甲基双膦酸偏酯的制备最近引起了人们的兴趣。本文描述了一种通过用回流的吗啉选择性裂解相应的亚甲基双（二烷基膦酸）来制备对称亚甲基双（烷基氢膦酸）的简便方法。已经研究了结构变化对胺和底物的影响，以了解该反应的范围和局限性。受阻双膦酸酯的一种更好的方法是使用吗啉裂解它们的二甲酯 4。该方法也可用于获取许多 C-烷基二烷基亚甲基双膦酸，例如 6。该研究清楚地表明，用吗啉裂解方便、便宜、
• Facile synthesis of symmetric esters of alkylenebisphosphonic acids
  申请人：——

  公开号：US20030060648A1

  公开（公告）日：2003-03-27

  A facile synthesis of symmetric esters of C 1 -C 10 alkylenebisphopsphonic acids is disclosed in which a C 1 -C 10 alkylenebis(phosphonic dichloride) is reacted with an alcohol in the presence of a catalytic amount of 1H-tetrazole and a base in an aprotic solvent to form a first reaction mixture. The first reaction mixture is maintained for a time period sufficient to form a C 1 -C 10 alkylenebis(chloro ester phosphonate) that is reacted under basic conditions with an excess of a hydroxylated compound to form a second reaction mixture that is itself maintained for a time period sufficient to form a C 1 -C 10 alkylenebis(ester phosphonate) partial ester, homoleptic tetraester or mixed tetraester. The material so formed can be recovered or used as is.

  本文披露了一种对称的C1-C10烷基双膦酸酯的简便合成方法，其中C1-C10烷基双(膦酸二氯化物)与醇在无极性溶剂中，在1H-四唑催化剂和碱的存在下反应形成第一反应混合物。第一反应混合物维持一定时间，形成C1-C10烷基双(氯酯膦酸酯)，在碱性条件下与过量的羟基化合物反应形成第二反应混合物，第二反应混合物维持一定时间，形成C1-C10烷基双(酯膦酸酯)部分酯、同配体四酯或混合四酯。所形成的材料可以回收或直接使用。
• Sequestering compositions and materials
  申请人：Alliance for Sustainable Energy, LLC

  公开号：US11174277B2

  公开（公告）日：2021-11-16

  The present disclosure relates to a composition that includes a sequestering material capable of binding a target material, where the sequestering material includes a first component that includes at least one of a functional group, a molecule, an oligomer, or a polymer, and the target material includes at least one of an element, a chemical, and/or a compound. In some embodiments of the present disclosure, the element may include at least one element from at least one of Rows 4, 5, 6, and 7 of the Periodic Table and/or an inner transition metal.

  本公开涉及一种组合物，该组合物包括能够结合目标物质的封存材料，其中封存材料包括第一组分，该组分包括官能团、分子、低聚物或聚合物中的至少一种，而目标物质包括元素、化学物质和/或化合物中的至少一种。在本公开的某些实施方案中，元素可包括来自元素周期表第 4、5、6 和 7 行中的至少一种元素和/或内部过渡金属。
• Production of ultrapure bismuth-213 for use in therapeutic nuclear medicine
  申请人：——

  公开号：US20030012715A1

  公开（公告）日：2003-01-16

  A multicolumn selectivity inversion generator has been developed in which bismuth-213 is selectively extracted from an HCl solution of the actinium-225 parent (and its radiogenic descendents) by a primary separation column containing a separation medium containing a neutral oxygenated organophosphorus extractant. After rinsing with dilute HCl, the bismuth-213 is stripped with a buffered NaCl solution. The stripped solution is passed through a cation-exchange resin guard column that retains the actinium-225 and radium-225 contaminants while the bismuth-213 elutes. This generator method minimizes the unpredictable effects of radiation damage to the support material and permits the reliable production of bismuth-213 of high chemical and radionuclidic purity.

  我们开发了一种多柱选择性反转发生器，在这种发生器中，铋-213 通过一个含有中性含氧有机磷萃取剂的分离介质的初级分离柱，从锕-225 母体（及其放射性后裔）的盐酸溶液中选择性地萃取出来。用稀盐酸冲洗后，用缓冲氯化钠溶液剥离铋-213。剥离溶液通过阳离子交换树脂保护柱，在洗脱铋-213 的同时保留锕-225 和镭-225 杂质。这种发生器方法最大程度地减少了辐射对支撑材料造成的不可预测的破坏，并能可靠地生产出化学纯度和放射性纯度都很高的铋-213。