N,N-bis(diphenylphosphinoylmethyl)-β-alanine | 1438405-25-4

• 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: N,N-bis(diphenylphosphinoylmethyl)-β-alanine
• 英文别名: 3-[Bis(diphenylphosphorylmethyl)amino]propanoic acid；3-[bis(diphenylphosphorylmethyl)amino]propanoic acid
• CAS: 1438405-25-4
• 化学式: C₂₉H₂₉NO₄P₂
• 分子量: 517.501
• InChiKey: JGNJOMWFEDKWRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  74.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (二苯基膦基)甲醇 在 双氧水 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 6.5h， 生成 N,N-bis(diphenylphosphinoylmethyl)-β-alanine
  参考文献：
  名称：

  A Simple Procedure to Ditertiary Phosphinocarboxylic Acids and Their Bisphosphine Oxides

  摘要：

  A simple two-step route to a series of carboxylic acid functionalized ditertiary phosphine oxides is described, including the X-ray crystal structures of three representative examples namely {Ph2P(O)CH2}(2)N(CH2)(n)CO2H (n = 35). Strong intermolecular OHO H-bonding is observed in all cases leading to distinct packing arrangements.

  DOI：

  10.1080/10426507.2012.743133

文献信息

• Synthesis of<i>N,N</i>-Bis(dialkoxyphosphinoylmethyl)- and<i>N,N</i>-Bis(diphenylphosphinoylmethyl)-β- and γ-amino acid Derivatives by the Microwave-Assisted Double Kabachnik-Fields Reaction
  作者：Erika Bálint、Eszter Fazekas、János Kóti、György Keglevich

  DOI：10.1002/hc.21221

  日期：2015.1

  The title compounds were synthesized by the microwave-assisted, mostly solvent-free bis Kabachnik–Fields condensation of β-alanine and γ-aminobutyric acid or their esters with formaldehyde and >P(O)H species, such as dialkyl phosphites and diphenylphosphine oxide.

  标题化合物是通过 β-丙氨酸和 γ-氨基丁酸或其酯与甲醛和 >P(O)H 物质（例如亚磷酸二烷基酯和氧化二苯膦）的微波辅助、主要无溶剂的双 Kabachnik-Fields 缩合反应合成的.
• A Simple Procedure to Ditertiary Phosphinocarboxylic Acids and Their Bisphosphine Oxides
  作者：Mark R. J. Elsegood、Thomas A. Noble、Salem Talib、Martin B. Smith

  DOI：10.1080/10426507.2012.743133

  日期：2013.1.1

  A simple two-step route to a series of carboxylic acid functionalized ditertiary phosphine oxides is described, including the X-ray crystal structures of three representative examples namely Ph2P(O)CH2}(2)N(CH2)(n)CO2H (n = 35). Strong intermolecular OHO H-bonding is observed in all cases leading to distinct packing arrangements.