3,3-bis(dimethoxyphosphoryl)-propanoic acid | 959601-54-8

• 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: 3,3-bis(dimethoxyphosphoryl)-propanoic acid
• 英文别名: 3,3-bis(dimethoxyphosphory)propanoic acid；3,3-Bis(dimethoxyphosphoryl)propanoic acid；3,3-bis(dimethoxyphosphoryl)propanoic acid
• CAS: 959601-54-8
• 化学式: C₇H₁₆O₈P₂
• 分子量: 290.147
• InChiKey: YXZCIPQTTGVZET-UHFFFAOYSA-N

物化性质

• 沸点：
  418.3±40.0 °C(Predicted)
• 密度：
  1.363±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  四甲基亚甲基二磷酸酯 在 potassium tert-butylate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3,3-bis(dimethoxyphosphoryl)-propanoic acid
  参考文献：
  名称：

  [EN] NOVEL MANGANESE COMPRISING NANOSTRUCTURES
  [FR] NOUVELLES NANOSTRUCTURES COMPORTANT DU MANGANÈSE

  摘要：

  本文披露了包含至少五个伽那双膦酸酯基团的聚合物框架的纳米结构，其中这些伽那双膦酸酯基团独立地被结合为-R3R4C(P=O(OR1)(OR2))2，其中R1和R2分别从阴离子、H、烷基和芳基组成的组中独立选择，且其中R3和R4中至少有一个是连接到聚合物框架的基团，但有一个限制条件，即当R3和R4中仅有一个是这样的连接基团时，另一个R3和R4要么是能够连接到聚合物框架的基团，要么是这种基团的残基，或者从H、OH、OR5和R5组成的组中选择，其中R5是较低的烷基。聚合物框架可能包括锰离子。还披露了制备含锰的纳米结构的方法，包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构，例如作为MRI对比剂。

  公开号：

  WO2013041623A1

文献信息

• [EN] NOVEL MANGANESE COMPRISING NANOSTRUCTURES<br/>[FR] NOUVELLES NANOSTRUCTURES COMPORTANT DU MANGANÈSE
  申请人：SPAGO IMAGING AB

  公开号：WO2013041623A1

  公开（公告）日：2013-03-28

  Disclosed herein are nanostructures comprising a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as - R3R4C(P=O(OR1)(OR2))2, wherein R1 and R2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R3 and R4 is a group connected to the polymeric framework with the proviso that when only one of R3 and R4 is such a connected group, the other of R3 and R4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR5 and R5, wherein R5 is a lower alkyl. The polymeric framework may comprise manganese ions. Disclosed are also methods for producing such manganese containing nanostructures, compositions comprising such manganese containing nanostructures and use of such manganese con¬ taining nanostructures, i.a. as MRI contrasting agents.

  本文披露了包含至少五个伽那双膦酸酯基团的聚合物框架的纳米结构，其中这些伽那双膦酸酯基团独立地被结合为-R3R4C(P=O(OR1)(OR2))2，其中R1和R2分别从阴离子、H、烷基和芳基组成的组中独立选择，且其中R3和R4中至少有一个是连接到聚合物框架的基团，但有一个限制条件，即当R3和R4中仅有一个是这样的连接基团时，另一个R3和R4要么是能够连接到聚合物框架的基团，要么是这种基团的残基，或者从H、OH、OR5和R5组成的组中选择，其中R5是较低的烷基。聚合物框架可能包括锰离子。还披露了制备含锰的纳米结构的方法，包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构，例如作为MRI对比剂。
• Manganese comprising nanostructures
  申请人：SPAGO IMAGING AB

  公开号：US09040637B2

  公开（公告）日：2015-05-26

  Disclosed herein are nanostructures comprising a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as —R3R4C(P═O(OR1)(OR2))2, wherein R1 and R2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R3 and R4 is a group connected to the polymeric framework with the proviso that when only one of R3 and R4 is such a connected group, the other of R3 and R4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR5 and R5, wherein R5 is a lower alkyl. The polymeric framework may comprise manganese ions. Disclosed are also methods for producing such manganese containing nanostructures, compositions comprising such manganese containing nanostructures and use of such manganese containing nanostructures, i.a. as MRI contrasting agents.

  本文公开了一种纳米结构，包括至少五个双膦酸酯基团的聚合物框架，其中双膦酸酯基团独立地被并入为—R3R4C(P═O(OR1)(OR2))2，其中R1和R2独立地选择自阴离子、氢、烷基和芳基的群体，而且至少有一个R3和R4是连接到聚合物框架的基团，但当R3和R4中仅有一个是这样的连接基团时，另一个R3和R4则是能够连接到聚合物框架的基团，或者是这样一个基团的残基，或者选择自H、OH、OR5和R5的群体，其中R5是低烷基。聚合物框架可以包括锰离子。还公开了制备这种含锰纳米结构的方法、包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构的方法，其中包括作为MRI对比剂。
• NOVEL MANGANESE COMPRISING NANOSTRUCTURES
  申请人：SPAGO IMAGING AB

  公开号：US20140350193A1

  公开（公告）日：2014-11-27

  Disclosed herein are nanostructures comprising a polymeric framework comprising at least five geminal bisphosphonate groups, wherein the geminal bisphosphonate groups independently of each other are incorporated as —R 3 R 4 C(P═O(OR 1 )(OR 2 )) 2 , wherein R 1 and R 2 are independently selected from the group consisting of a negative charge, H, alkyl and aryl, and wherein at least one of R 3 and R 4 is a group connected to the polymeric framework with the proviso that when only one of R 3 and R 4 is such a connected group, the other of R 3 and R 4 is either a group being able to connect to the polymeric framework, or the residue of such a group, or selected from the group consisting of H, OH, OR 5 and R 5 , wherein R 5 is a lower alkyl. The polymeric framework may comprise manganese ions. Disclosed are also methods for producing such manganese containing nanostructures, compositions comprising such manganese containing nanostructures and use of such manganese containing nanostructures, i.a. as MRI contrasting agents.

  本文披露了一种纳米结构，包括至少五个双磷酸酯基团的聚合物框架，其中双磷酸酯基团独立地作为-R3R4C（P═O（OR1）（OR2））2并入，其中R1和R2分别选择自阴离子、H、烷基和芳基的群组，而且R3和R4中至少有一个是连接到聚合物框架的群组，但是当R3和R4中仅有一个是这样的连接群组时，另一个则为能够连接到聚合物框架的群组，或是这样的群组的残基，或选择自H、OH、OR5和R5的群组，其中R5是较低的烷基。聚合物框架可以包括锰离子。此外，本文还披露了制备这种含锰纳米结构的方法，包含这种含锰纳米结构的组合物以及使用这种含锰纳米结构的方法，例如作为MRI对比剂。
• Nanostructures and applications thereof
  申请人：Spago Imaging AB

  公开号：EP2923712A1

  公开（公告）日：2015-09-30

  Disclosed herein are globular nanostructures having a hydrodynamic diameter (Dh) of 8-100 nm comprising a central part and a peripheral part, wherein said central part has a calculated diameter (Dc) of 6-90 nm and said peripheral part has an estimated thickness (Tp) so that Dh=Dc+2Tp, wherein said central part comprises: (i) a crosslinked polymeric framework comprising monomer residues wherein at least 30 % by number of the monomer residues have crosslinked thereby forming the crosslinked polymeric framework and/or (ii) a branched polymeric framework comprising monomer residues wherein the number of branch points is at least 30 % of the number of monomer residues, wherein said central part comprises chelating groups of which at least 4 allow chelation of at least one multiply charged cation, wherein said chelating groups are independently selected from the group consisting of-COOR1, -P=O(OR1)(OR2), and -S(=O)2OR1, wherein R1 and R2 are independently selected from the group consisting of a negative charge, H, and lower alkyls, and wherein said peripheral part comprises a synthetic polymer material covalently attached to the central part, wherein the synthetic polymer material is hydrophilic and bioinert, and electrically neutral or zwitterionic. Also disclosed are compositions comprising such nanoparticles, and optionally also a radionuclide, use of such compositions, kits containing such compositions and methods for obtaining such compositions.

  本文公开了水动力直径（Dh）为 8-100 nm 的球状纳米结构，包括中心部分和外围部分，其中所述中心部分的计算直径（Dc）为 6-90 nm，所述外围部分的估计厚度（Tp）为 Dh=Dc+2Tp，其中所述中心部分包括：(i) 由单体残基组成的交联聚合物框架，其中至少 30% 的单体残基发生交联，从而形成交联聚合物框架和/或 (ii) 支化聚合物框架：(i) 由单体残基组成的交联聚合物框架，其中至少 30% 的单体残基发生交联从而形成交联聚合物框架，和/或 (ii) 由单体残基组成的支化聚合物框架，其中支化点的数量至少为单体残基数量的 30%，其中所述中心部分包括螯合基团，其中至少 4 个螯合基团可螯合至少一个多电荷阳离子、其中所述螯合基团独立地选自-COOR1、-P=O(OR1)(OR2)和-S(=O)2OR1组成的组，其中R1和R2独立地选自负电荷、H和低级烷基组成的组，并且其中所述外围部分包括共价连接到中心部分的合成聚合物材料，其中合成聚合物材料具有亲水性和生物惰性，并且电中性或具有齐聚离子性。此外，还公开了包含此类纳米粒子和放射性核素的组合物、此类组合物的用途、含有此类组合物的试剂盒以及获得此类组合物的方法。
• MANGANESE COMPRISING NANOSTRUCTURES
  申请人：Spago Nanomedical AB (publ)

  公开号：EP2750716B1

  公开（公告）日：2019-12-25