4-(imidazolin-2-yl)-3-thiabutanoic acid | 1379175-49-1

• 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: 4-(imidazolin-2-yl)-3-thiabutanoic acid
• 英文别名: 2-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)acetic acid
• CAS: 1379175-49-1
• 化学式: C₆H₁₀N₂O₂S
• 分子量: 174.224
• InChiKey: JQAYXPXXWYDROL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  87
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (NEt4)2[rhenium(I)(bromide)3(carbonyl)3] 、 4-(imidazolin-2-yl)-3-thiabutanoic acid 在 NaOH 作用下， 以 乙腈 为溶剂， 以72.2%的产率得到fac-[(4-(imidazolin-2-yl)-3-thiabutanoate)Re(CO)3]
  参考文献：
  名称：

  Rhenium(I) and technetium-99m(I) fac-tricarbonyl complexes with 4-(imidazolin-2-yl)-3-thiabutanoic acid derivatives as tridentate ligands: Synthesis and structural characterization

  摘要：

  Two rhenium(l) tricarbonyl complexes, with the monoanionic tridentate NSO type ligand, 4-(imidazolin-2-yl)-3-thiabutanoic acid and 4-(N-ethylimidazolin-2-yl)-3-thiabutanoic acid were synthesized and isolated in pure form. Both complexes were characterized by spectroscopic methods and elemental analysis. The solid-state structure of 4-(imidazolin-2-yl)-3-thiabutanoic acid and of both complexes was established by X-ray crystallography. The geometry about the rhenium is octahedral. The analogous technetium-99m complexes were also prepared quantitatively by the reaction of both ligands with the fac-[Tc-99m(CO)(3)(H2O)(3)](+) synthon and their identity was established by chromatographic comparison to their rhenium congeners. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.04.005