(S,S,S)-tris(2-(α)-methylbenzylcarbamoylmethyl)amine | 191482-46-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S,S,S)-tris(2-(α)-methylbenzylcarbamoylmethyl)amine
• 英文别名: 2-[bis[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]-N-[(1S)-1-phenylethyl]acetamide
• CAS: 191482-46-9
• 化学式: C₃₀H₃₆N₄O₃
• 分子量: 500.641
• InChiKey: ADKZQZMQCIUKIH-HJOGWXRNSA-N

物化性质

• 沸点：
  782.1±60.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  90.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S,S,S)-tris(2-(α)-methylbenzylcarbamoylmethyl)amine 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 120.0h， 以82%的产率得到(S,S,S)-tris(2-(α)-methylbenzylaminoethyl)amine
  参考文献：
  名称：

  P[(S,S,S)-PhHMeCNCH₂CH₂]₃N:  A New Chiral ³¹P and ¹H NMR Spectroscopic Reagent for the Direct Determination of ee Values of Chiral Azides

  摘要：

  A facile and economical procedure for the synthesis of the C-3 chiral alpha-phenylethylamino trisaminoamine [(S,S,S)-PhHMeCNHCH2CH2](3)N in good yield is reported. The corresponding bicyclic proazaphosphatrane P[(S,S,S)-PhHMeCNCH2CH2](3)N, its bicydic phosphoryl derivative, and its tricyclic P-protonated azaphosphatrane were also synthesized and characterized. It is found that the proazaphosphatrane is an efficient derivatizing agent for the direct determination of enantiomeric ratios of chiral azides by means of (31)p and H-1 NMR spectroscopy.

  DOI：

  10.1021/jo991304a
• 作为产物：
  描述：

  次氮基三乙酸 、 (S)-(-)- α-甲基苄胺 以 水 为溶剂， 150.0 ℃ 、101.33 kPa 条件下， 以80%的产率得到(S,S,S)-tris(2-(α)-methylbenzylcarbamoylmethyl)amine
  参考文献：
  名称：

  使用微波辐照在无溶剂条件下合成手性三足受体以研究阴离子和阳离子识别特性

  摘要：

  基于酰胺的手性三足受体衍生物在微波辐射下以相当高的产率 (76%84%) 合成，并通过 IR 和 1D、2D、Hand C-NMR 光谱表征。通过 DMSO-d6 中的 H-NMR 滴定研究了这些三足受体对某些阴离子和有机铵盐的识别特性。三足 (S)-苯基受体对 (S)-(-)-1-苯基高氯酸铵 (ERF = 91.74 S) 表现出非常显着的对映异构选择性。

  DOI：

  10.24820/ark.5550190.p010.759

文献信息

• P[(<i>S</i>,<i>S</i>,<i>S</i>)-PhHMeCNCH₂CH₂]₃N:  A New Chiral ³¹P and ¹H NMR Spectroscopic Reagent for the Direct Determination of <i>e</i><i>e</i> Values of Chiral Azides
  作者：Xiaodong Liu、Palanichamy Ilankumaran、Ilia A. Guzei、John G. Verkade

  DOI：10.1021/jo991304a

  日期：2000.2.1

  A facile and economical procedure for the synthesis of the C-3 chiral alpha-phenylethylamino trisaminoamine [(S,S,S)-PhHMeCNHCH2CH2](3)N in good yield is reported. The corresponding bicyclic proazaphosphatrane P[(S,S,S)-PhHMeCNCH2CH2](3)N, its bicydic phosphoryl derivative, and its tricyclic P-protonated azaphosphatrane were also synthesized and characterized. It is found that the proazaphosphatrane is an efficient derivatizing agent for the direct determination of enantiomeric ratios of chiral azides by means of (31)p and H-1 NMR spectroscopy.
• Synthesis of chiral tripodal receptors under solvent-free conditions using microwave irradiation for investigation of anion and cation recognition properties
  作者：Åžeref Kaplan、GülÅŸen Öztürk、Sevil Åž. AzizoÄŸlu、Mahmut ToÄŸrul、Yılmaz Turgut

  DOI：10.24820/ark.5550190.p010.759

  日期：——

  Amide based chiral tripodal receptor derivatives were synthesized under microwave irradiation in quite high yields (76%84%) and they were characterized by IR and 1D, 2D, Hand C-NMR spectroscopies. The recognition properties of these tripodal receptors towards some anions and organic ammonium salts were investigated by H-NMR titration in DMSO-d6. The tripodal (S)-phenyl receptor demonstrated a highly

  基于酰胺的手性三足受体衍生物在微波辐射下以相当高的产率 (76%84%) 合成，并通过 IR 和 1D、2D、Hand C-NMR 光谱表征。通过 DMSO-d6 中的 H-NMR 滴定研究了这些三足受体对某些阴离子和有机铵盐的识别特性。三足 (S)-苯基受体对 (S)-(-)-1-苯基高氯酸铵 (ERF = 91.74 S) 表现出非常显着的对映异构选择性。