3-(ethoxycarbonylmethyl(pyridin-2-ylmethyl)amino)propionic acid methyl ester | 851477-05-9

• 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: 3-(ethoxycarbonylmethyl(pyridin-2-ylmethyl)amino)propionic acid methyl ester
• 英文别名: Methyl 3-[(2-ethoxy-2-oxoethyl)-(pyridin-2-ylmethyl)amino]propanoate
• CAS: 851477-05-9
• 化学式: C₁₄H₂₀N₂O₄
• 分子量: 280.324
• InChiKey: KMAOTRFDZGOTAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  oxotribromobis(triphenylphosphine)rhenium(V) 、 3-(ethoxycarbonylmethyl(pyridin-2-ylmethyl)amino)propionic acid methyl ester 在 triethylamine 作用下， 以 氯仿 为溶剂， 以40%的产率得到Re(V)OBr2(3-(ethoxycarbonylmethyl(pyridin-2-ylmethyl)amino)propionate)
  参考文献：
  名称：

  Complexes of the {ReVOX2}+ (X=Cl, Br) core with single amino acid chelate derivatives

  摘要：

  The reactions of 1 equiv. of the ligand 3-(ethoxycarbonylmethyl-pyridin-2-ylmethyl-amino)-propionic acid methyl ester (2) with the Re(V) starting materials [ReOX3(PPh3)(2)] (X = Cl, Br) in refluxing chloroform yielded the Re(V)-oxo dihalide complexes [ReOX2{(C5H4NCH2)N(CH2CO2)(C2H4CO2CH3)}] (X = Cl, 3; X = Br, 4). The complexes were characterized by elemental analysis, NMR and IR spectroscopy, cyclic voltammetry and X-ray crystallography. Complex 3 displays distorted octahedral coordination geometry with the tridentate ligand coordinating facially to the Re(V) center. The carboxylate oxygen atom occupies an axial site trans to the Re=O bond. The two chlorine atoms consequently adopt a cis configuration. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.01.018