N-butylpentanethioamide | 214349-83-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代酰胺
• 英文名称: N-butylpentanethioamide
• CAS: 214349-83-4
• 化学式: C₉H₁₉NS
• 分子量: 173.323
• InChiKey: CDZAQYREBVNMDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-乙酰基噻吩 、 N-butylpentanethioamide 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到N-butyl-3-oxo-3-(2-thienyl)propanethioamide
  参考文献：
  名称：

  C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones

  摘要：

  Esters, sulfones, and ketones were C-aminoimidoylated and C-thiocarbamoylated by benzotriazole-1-carboxamidines 8a-g and 1-(alkyl-or-arylthiocarbamoyl)benzotriazoles 9a-i, respectively. The present work represents the first systematic approach to these compound classes, the few previously known examples of which were obtained by diverse approaches.

  DOI：

  10.1021/jo070545c
• 作为产物：
  描述：

  methyl pentanedithioate 、 正丁胺 以 二氯甲烷 为溶剂， 反应 24.0h， 以87%的产率得到N-butylpentanethioamide
  参考文献：
  名称：

  Synthesis, characterization and blood cell labelling evaluation of new 99mTc nitrido radiopharmaceuticals with thioamide [R1C(=S)NHR2] derivatives

  摘要：

  The synthesis of a series of new Tc-99m-thioamide complexes with the [Tc=N](2+) nitrido core, in which the thioamide ligand substituents were varied to include different lengths of aliphatic alkyl chains or a phenyl group is reported TLC analysis shows that the complexes are neutral and lipophilic compounds. The Tc-99m complexes have a low blood cell labelling efficiency in whole blood compared to the reference complex of dithiocarbamate (TcN)-Tc-99m(Et(EtO)NCS2)(2).

  DOI：

  10.1002/(sici)1099-1344(1998090)41:9<863::aid-jlcr134>3.0.co;2-h

文献信息

• C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones
  作者：Alan R. Katritzky、Niveen M. Khashab、Danniebelle N. Haase、Megumi Yoshioka、Ion Ghiviriga、Peter J. Steel

  DOI：10.1021/jo070545c

  日期：2007.8.31

  Esters, sulfones, and ketones were C-aminoimidoylated and C-thiocarbamoylated by benzotriazole-1-carboxamidines 8a-g and 1-(alkyl-or-arylthiocarbamoyl)benzotriazoles 9a-i, respectively. The present work represents the first systematic approach to these compound classes, the few previously known examples of which were obtained by diverse approaches.
• Synthesis, characterization and blood cell labelling evaluation of new 99mTc nitrido radiopharmaceuticals with thioamide [R1C(=S)NHR2] derivatives
  作者：F. Mévellec、F. Demaimay、A. Roucoux、A. Moisan、N. Noiret、H. Patin

  DOI：10.1002/(sici)1099-1344(1998090)41:9<863::aid-jlcr134>3.0.co;2-h

  日期：1998.9

  The synthesis of a series of new Tc-99m-thioamide complexes with the [Tc=N](2+) nitrido core, in which the thioamide ligand substituents were varied to include different lengths of aliphatic alkyl chains or a phenyl group is reported TLC analysis shows that the complexes are neutral and lipophilic compounds. The Tc-99m complexes have a low blood cell labelling efficiency in whole blood compared to the reference complex of dithiocarbamate (TcN)-Tc-99m(Et(EtO)NCS2)(2).