3-(diphenyl-2-carboxyethylphosphonio)propionate | 128894-23-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(diphenyl-2-carboxyethylphosphonio)propionate
• 英文别名: 3-[(2-carboxyethyl)diphenylphosphonium]propanoate；3-[(2-carboxyethyl)diphenylphosphonio]propanoate；3-[2-Carboxyethyl(diphenyl)phosphaniumyl]propanoate
• CAS: 128894-23-5
• 化学式: C₁₈H₁₉O₄P
• 分子量: 330.32
• InChiKey: UIYOPGPSZSNFTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  77.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙醇 、 3-(diphenyl-2-carboxyethylphosphonio)propionate 在 碘甲烷 作用下， 反应 20.0h， 以63%的产率得到
  参考文献：
  名称：

  溶剂对羧化膦甜菜碱与碘代烷烷基化的影响

  摘要：

  研究了一系列单羧酸和二羧酸膦甜菜碱与甲基和乙基碘在不同溶剂中的新烷基化反应。这些反应提供了稳定的化合物：结构不同的含碘salts盐。

  DOI：

  10.1134/s1070363217120064
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 以 乙腈 为溶剂， 生成 3-(diphenyl-2-carboxyethylphosphonio)propionate
  参考文献：
  名称：

  New phosphonium salts based on 3-(diphenylphosphino)propanoic and ω-haloalkanoic acids

  摘要：

  DOI：

  10.1016/j.mencom.2021.03.032

文献信息

• The unusual reaction of alkylation of dicarboxylate phosphabetaines in alcohol media
  作者：Yuliya V. Bakhtiyarova、Maxim V. Morozov、Rail R. Minnullin、Kamil A. Ivshin、Luiza N. Yamalieva、Irina V. Galkina、Olga N. Kataeva、Vladimir I. Galkin

  DOI：10.1080/10426507.2018.1547723

  日期：2019.5.27

  Abstract The new reaction of alkylation of dicarboxylate phosphabetaines by alkyl halides in alcohol media has been opened. In this reaction alkyl radical enters to the ester part of molecule not from alkyl halide, but from the alcohol molecule. The structure of the isolated compounds was determined by IR and NMR spectroscopy, elemental and X-ray analysis. Graphical Abstract

  摘要 开辟了醇介质中卤代烷对二羧酸磷酸甜菜碱进行烷基化的新反应。在该反应中，烷基不是从卤代烷而是从醇分子进入分子的酯部分。分离出的化合物的结构由红外和核磁共振光谱、元素和 X 射线分析确定。图形概要
• New di- and tricarboxylate phosphabetaines
  作者：Yu. V. Bakhtiyarova、A. F. Aksunova、R. R. Minnullin、I. V. Galkina、V. I. Galkin

  DOI：10.1007/s11172-016-1453-5

  日期：2016.5

  New stable tricarboxylate phosphabetaines were synthesized based on 3-(diphenylphosphino)propionic acid and unsaturated dicarboxylic acids (maleic and itaconic). A new dicarboxylate phosphabetaine was synthesized based on 1,3-bis(diphenylphosphino)propane, which did not contain any proton-donor reagents in its crystal lattice.

  基于 3-（二苯基膦基）丙酸和不饱和二羧酸（马来酸和衣康酸）合成了新的稳定三羧酸磷酸甜菜碱。基于 1,3-双（二苯基膦基）丙烷合成了一种新的二羧酸磷酸甜菜碱，其晶格中不含任何质子供体试剂。
• Doorn, J. A. van; Wife, R. L., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 47, p. 253 - 260
  作者：Doorn, J. A. van、Wife, R. L.

  DOI：——

  日期：——
• Synthesis of carboxylate phosphabetaines from 3-(diphenylphosphino)propanoic acid and unsaturated monocarboxylic acids
  作者：Yu. V. Bakhtiyarova、R. R. Minnullin、I. V. Galkina、R. A. Cherkasov、V. I. Galkin

  DOI：10.1134/s1070363215090042

  日期：2015.9

  Stable dicarboxylate phosphabetaines were synthesized by the phosphorylation of a series of unsaturated monocarboxylic acids (acrylic, crotonic, methacrylic, and cinnamic) with 3-(diphenylphosphino)-propanoic acid. The structure of the products was assessed by chemical, physical, and physicochemical methods. Alkylation of 3-(diphenylphosphino)propanoic acid with methyl iodide was studied for the first time to show that the reaction proceeds smoothly and yields the corresponding quaternary phosphonium salt.