4-(triphenylphosphonio)butanoate | 60633-15-0

• 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: 4-(triphenylphosphonio)butanoate
• 英文别名: 4-triphenylphosphoniobutyrate；4-(Triphenyl-phosphonio)butanoate；4-triphenylphosphaniumylbutanoate
• CAS: 60633-15-0
• 化学式: C₂₂H₂₁O₂P
• 分子量: 348.381
• InChiKey: WFPBWVIGMPXUGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(triphenylphosphonio)butanoate 、 碘乙烷 以 乙腈 为溶剂， 以79%的产率得到<γ-(ethoxycarbonyl)propyl>triphenylphosphonium iodide
  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：

  3-carboxy-2-((triphenylphosphonio)-methyl)propanoate 反应 0.25h， 以70%的产率得到4-(triphenylphosphonio)butanoate
  参考文献：
  名称：

  Carboxylate phosphabetaines based on tertiary phosphines and unsaturated dicarboxylic acids

  摘要：

  By reaction of trioganylphosphines with unsaturated dicarboxylic acids adducts of betaine structure were synthesized whose stability depended on the character of substituents at phosphorus and on the structure of acid. The betaine obtained from phosphines and maleic and fumaric acids redily underwent decarboxylation into the corresponding monoacyl phosphonium derivatives. The structure of the latter was established by means of X-ray crystallography. The adduct prepared from phosphines and itaconic acid was stabilized by intramolecular hydrogen bond between the acylate anionic center and the "second" carboxy group.

  DOI：

  10.1134/s1070428007020091

文献信息

• Mononuclear cadmium(II) halide complexes of triphenylphosphoniobutyrate, [CdCl2L2-H2O] and [CdX2L2] (X = Br, I)(L = Ph3P+ (CH2)3CO2−)
  作者：Song-Lin Li、Thomas C.W. Mak

  DOI：10.1016/0277-5387(96)00292-6

  日期：1997.1

  Abstract Three mononuclear cadmium(II) complexes containing the tertiary phosphine betaine ligand triphenylphosphoniobutyrate, Ph 3 P + (CH 2 ) 3 CO 2 − , (L) have been synthesized and characterized by single crystal X-ray analysis. In CdCl 2 L 2 · H 2 O ( 1 ) the cadmium(II) atom is coordinated by pairs of unidentate betaine ligands and chloro ligands in a tetrahedral environment, and the primarily

  摘要合成了三类含叔膦甜菜碱配体三苯基膦酸丁酯，Ph 3 P +（CH 2）3 CO 2-，（L）的单核镉（II）配合物，并通过单晶X射线分析对其进行了表征。在CdCl 2 L 2·H 2 O（1）中，镉（II）原子在四面体环境中由成对的甜菜碱配体和氯配体对配位，主要的离散物种通过溶剂化水分子中的供体氢键连接与甜菜碱配体的侧挂氧原子形成二聚体。在CdBr 2 L 2（2）中，镉（II）原子以相似的方式配位，但是一个CdBr距离太长，以至于它被认为是弱相互作用。在CdI 2 L 2（3）中，甜菜碱配体在二齿螯合和不明模式下的作用不同。
• Nogradi, Mihaly; Keserue, Gyoergy M.; Kajtar-Peredy, Maria, ACH - Models in Chemistry, 1998, vol. 135, # 1-2, p. 57 - 78
  作者：Nogradi, Mihaly、Keserue, Gyoergy M.、Kajtar-Peredy, Maria、Vermes, Borbala、Ha, Nguyen Thi Thu、Dinya, Zoltan

  DOI：——

  日期：——
• The Influence of Solvents on the Alkylation of Carboxylate Phosphabetaines with Alkyl Iodides
  作者：Yu. V. Bakhtiyarova、R. R. Minnullin、D. I. Bakhtiyarov、M. V. Morozov、K. A. Ivshin、I. V. Galkina、O. N. Kataeva、V. I. Galkin

  DOI：10.1134/s1070363217120064

  日期：2017.12

  The new alkylation reactions of a series of mono- and dicarboxylate phosphabetaines with methyl and ethyl iodides in different solvents have been studied. These reactions have afforded stable compounds: iodine-containing salts of phosphonium with different structure.

  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。
• Carboxylate phosphabetaines based on tertiary phosphines and unsaturated dicarboxylic acids
  作者：Yu. V. Bakhtiyarova、R. I. Sagdieva、I. V. Galkina、V. I. Galkin、R. A. Cherkasov、D. B. Krivolapov、A. T. Gubaidullin、I. A. Litvinov

  DOI：10.1134/s1070428007020091

  日期：2007.2

  By reaction of trioganylphosphines with unsaturated dicarboxylic acids adducts of betaine structure were synthesized whose stability depended on the character of substituents at phosphorus and on the structure of acid. The betaine obtained from phosphines and maleic and fumaric acids redily underwent decarboxylation into the corresponding monoacyl phosphonium derivatives. The structure of the latter was established by means of X-ray crystallography. The adduct prepared from phosphines and itaconic acid was stabilized by intramolecular hydrogen bond between the acylate anionic center and the "second" carboxy group.