N,N'-bis-(α-diethoxyphosphoryl-benzyl)-ethylenediamine | 34235-59-1

• 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: N,N'-bis-(α-diethoxyphosphoryl-benzyl)-ethylenediamine
• 英文别名: N,N'-Bis-(α-diaethoxyphosphoryl-benzyl)-aethylendiamin；N,N'-bis[diethoxyphosphoryl(phenyl)methyl]ethane-1,2-diamine
• CAS: 34235-59-1
• 化学式: C₂₄H₃₈N₂O₆P₂
• 分子量: 512.523
• InChiKey: KKAYOXUEXBLSDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  34
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  95.1
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N,N'-bis-(α-diethoxyphosphoryl-benzyl)-ethylenediamine 在 盐酸 作用下， 生成 ethane-1,2-diamino-N,N'-bis(benzyl phosphonic)acid
  参考文献：
  名称：

  Kabatschnik et al., Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1958, p. 1070,1072,1074;engl.Ausg.S.1038,1040,1042

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N-双(苯基亚甲基)-1,2-乙二胺 、 亚磷酸二乙酯 生成 N,N'-bis-(α-diethoxyphosphoryl-benzyl)-ethylenediamine
  参考文献：
  名称：

  The Synthesis of Esters of Substituted Amino Phosphonic Acids^1a

  摘要：

  DOI：

  10.1021/ja01126a054

文献信息

• 31P NMR spectroscopic investigation of exchange processes in two bifunctional aminophosphonates
  作者：R. Boetzel、S. Failla、P. Finocchiaro、G. Hägele

  DOI：10.1002/mrc.1260330403

  日期：1995.4

  Variable‐temperature 31P NMR spectroscopy was used to extract Arrhenius and Eyring parameters of the hindered rotation about amide bonds in an acylated aminophosphonate. The results permit the differentiation between stepwise or concerted rotation.

  变温 31P NMR 光谱用于提取酰化氨基膦酸酯中酰胺键受阻旋转的阿伦尼乌斯和艾林参数。结果允许区分逐步旋转或协同旋转。
• ADDITION OF CYCLOHEXYLISOTHIOCYANATE TO O,O-DIETHYL-N,N′-ETHYLENE-BIS-PHENYL METHYL PHOSPHONATE. X-RAY STRUCTURE OF THE CONDENSATION PRODUCT
  作者：Salvatore Failla、Paolo Finocchiaro、Giorgio La Rosa、Kenneth I. Hardcastle

  DOI：10.1080/10426509708043513

  日期：1997.3.1

  Abstract The synthesis and the molecular structure of the title compound has been determined by single crystal X-ray analysis. C38H60N4O6P2S2 has a meso configuration, its crystal is monoclinic space group P21/c with a = 11.656(2), b = 18.480(4), c = 10.210(2), α = γ = 90°, β = 94.91(3)° and Z = 2. The refinement had a R-value 0.0537 for 2045 reflections. Bond distances and angles are quite normal

  摘要 标题化合物的合成和分子结构已通过单晶X射线分析确定。C38H60N4O6P2S2 具有细观构型，其晶体为单斜空间群 P21/c，a = 11.656(2), b = 18.480(4), c = 10.210(2), α = γ = 90°, β = 94.91(3) ° 和 Z = 2。对于 2045 次反射，改进的 R 值为 0.0537。键距和角度非常正常，并且在所有原子的预期范围内。扭转角 NI-C8-C8A-N1A 为 180°，因此分子呈现出相当分层的结构，从一半到另一半。有许多弱分子间相互作用，但最强的是 S1 和最近邻分子 C18 中的氢之间。
• Synthesis and Characterization of a New Series of Bis(allylic-α-aminophosphonates) under Mild Reaction Conditions
  作者：Ichrak Souii、Med Abderrahmane Sanhoury、Javier Vicario、Xabier Jiménez-Aberásturi、Mohamed L. Efrit、Hedi M’rabet、Jesús M. de los Santos

  DOI：10.3390/molecules28124678

  日期：——

  Several bis(α-aminophosphonates) have been conveniently prepared in good yields using a straightforward multicomponent Kabachnik–Fields reaction between ethane 1,2-diamine or propane 1,3-diamine, diethylphosphite and aldehydes under catalyst-free conditions. The nucleophilic substitution reaction of bis(α-aminophosphonates) prepared and ethyl (2-bromomethyl)acrylate under mild reaction conditions afforded

  在无催化剂条件下，使用乙烷 1,2-二胺或丙烷 1,3-二胺、亚磷酸二乙酯和醛之间的简单多组分 Kabachnik-Fields 反应，可以方便地以良好的产率制备几种双（α-氨基膦酸酯）。所制备的双(α-氨基膦酸酯)与(2-溴甲基)丙烯酸乙酯在温和的反应条件下发生亲核取代反应，为一系列新的双(烯丙基-α-氨基膦酸酯)系列提供了原创的合成方法。
• Giron-Forest,D.; Thomas,G., Bulletin de la Societe Chimique de France, 1972, p. 296 - 301
  作者：Giron-Forest,D.、Thomas,G.

  DOI：——

  日期：——
• FUNCTIONALIZATION OF 1-AMINO-1-ARYLMETHYL PHOSPHONIC ACID DIETHYL ESTERS AT THE NH GROUP
  作者：Salvatore Failla、Paolo Finocchiaro、Giorgio La Rosa

  DOI：10.1080/10426509608046392

  日期：1996.6.1

  Functionalization at the NH group (s) of 1-amino-1-arylmethyl phosphonic acid diethyl esters with mono-isocyanates was performed in order to produce alkyl ureas bearing the phosphonate group. The condensation reaction is easily performed in dry toluene at 80 degrees C using a catalytic amount of Et(3)N, and the white crystalline products are obtained in satisfactory yields. Characterizations of these new compounds, of potential applications in agrochemistry, were performed by H-1-NMR spectroscopy and by MS-FAB spectrometry, which reveals the presence of very diagnostic signals or peaks for structural assignments.