N-[2-(2-(benzoylthio)acetyl)aminoethyl]-2-[(2-carbomethoxyethyl)thio]acetamide | 175884-86-3

• 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-[2-(2-(benzoylthio)acetyl)aminoethyl]-2-[(2-carbomethoxyethyl)thio]acetamide
• 英文别名: methyl 3-[2-[2-[(2-benzoylsulfanylacetyl)amino]ethylamino]-2-oxoethyl]sulfanylpropanoate
• CAS: 175884-86-3
• 化学式: C₁₇H₂₂N₂O₅S₂
• 分子量: 398.504
• InChiKey: BKKWODKSLGPERZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  26.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  101.57
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[2-(2-(benzoylthio)acetyl)aminoethyl]-2-[(2-carbomethoxyethyl)thio]acetamide 、 在 triethylamine 作用下， 以 甲醇 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Technetium(V) and Rhenium(V) Complexes with S-Substituted Diamide-Dithiol Ligands. Single Crystal Structure Analysis of Tetraphenylarsonium Oxo-[N,N′-Ethylenebis(2-mercaptoacetimido)rhenate(V)]

  摘要：

  The benzoyl-protected unsymmetrical diamide-dithiol ligands of the type C6H5COSCH2CONH(CH2)(2)NHCOCH(2)SR, H-3(ema)R, where R = (CH2)(2)CN, (CH2)(2)COOCH3 and (CH2)(2)CONHC6H5, have been synthesized. When these ligands were allowed to react with Na[TcO(eg)(2)] (eg = ethylene glycolato), TcO2(py)(4)Cl or ReO2(py)(4)Cl, dealkylation of the thioether side chain from the ligands occurred and [TcO(ema)](-) or [ReO(ema)](-) were formed. These anionic complexes were isolated as either Ph(4)As(+) or Et(3)NH(+) salts. The complex [Ph(4)As][ReO(ema)] was recrystallized in ethanol/water solution, and a single crystal X-ray structure determination was performed. The crystal data are: monoclinic, space group P2(1)/c, a = 12.252 (6) Angstrom, b = 13.713 (8) Angstrom, c = 17.691(8) Angstrom, beta = 79.08 (4)(0), V = 2950 (3) Angstrom(3), Z = 4, Dc = 1.778 Mg/m(3), R = 0.0295 and Rw = 0.0335. The reactions of H-3(ema)R with ReO(PPh(3))(2)Cl-3 afforded six-coordinated complexes ReO(PPh(3))(ema)R, which are neutral, lipophilic and air stable.

  DOI：

  10.1080/00945719608005112