N-[2-(2-morpholinoacetyl)hydrazinocarbothioyl]benzamide | 1276375-46-2

• 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: N-[2-(2-morpholinoacetyl)hydrazinocarbothioyl]benzamide
• 英文别名: N-[2-(2-morpholinoacetyl)hydrazinocarbonothioyl]benzamide；2-(Morpholin-4-YL)-N-{[(phenylformamido)methanethioyl]amino}acetamide；N-[[(2-morpholin-4-ylacetyl)amino]carbamothioyl]benzamide
• CAS: 1276375-46-2
• 化学式: C₁₄H₁₈N₄O₃S
• mdl: MFCD25976045
• 分子量: 322.388
• InChiKey: JDYPOPRMDNNNPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰氯 以 异丙醇 、 丙酮 为溶剂， 反应 5.5h， 生成 N-[2-(2-morpholinoacetyl)hydrazinocarbothioyl]benzamide
  参考文献：
  名称：

  Chemical transformations of N-morpholinylacetic acid hydrazide and steric structure of its derivatives

  摘要：

  The reaction of N-morpholinylacetic acid hydrazide with various isothiocyanates and potassium thiocyanate resulted in the corresponding potentially biologically active thiosemicarbazide derivatives. Potassium N'-(2-morpholin-4-ylacetyl)hydrazinocarbothioate was synthesized and involved into heterocyclization in acidic environment to yield cyclic 5-(morpholinomethyl)-1,3,4-thiadiazole-2-thione. The structure of the synthesized compounds was established by IR, H-1 NMR spectroscopy, mass spectrometry, and XRD analysis.

  DOI：

  10.1134/s1070363213030183

文献信息

• Synthesis and complexing ability of N-[2-(2-morpholinoacetyl)hydrazinocarbothioyl]benzamide
  作者：Sh. K. Amerkhanova、O. A. Nurkenov、S. D. Fazylov、R. M. Shlyapov、A. S. Uali、Zh. B. Satpaeva

  DOI：10.1134/s1070363212110138

  日期：2012.11

  The synthesis and identification of N-[2-(2-morpholinoacetyl)hydrazinocarbothioyl]benzamide were performed. A qualitative and quantitative evaluation of its complexing ability to the Ni(II) and Co(II) ions was done. The stability constants of the Ni- and Co-complexes were determined. The thermodynamic aspects of the complexing process were discussed.
• Chemical transformations of N-morpholinylacetic acid hydrazide and steric structure of its derivatives
  作者：O. A. Nurkenov、S. D. Fazylov、Zh. B. Satpaeva、I. V. Kulakov、K. M. Turdybekov、D. M. Turdybekov、S. A. Talipov、B. T. Ibragimov

  DOI：10.1134/s1070363213030183

  日期：2013.3

  The reaction of N-morpholinylacetic acid hydrazide with various isothiocyanates and potassium thiocyanate resulted in the corresponding potentially biologically active thiosemicarbazide derivatives. Potassium N'-(2-morpholin-4-ylacetyl)hydrazinocarbothioate was synthesized and involved into heterocyclization in acidic environment to yield cyclic 5-(morpholinomethyl)-1,3,4-thiadiazole-2-thione. The structure of the synthesized compounds was established by IR, H-1 NMR spectroscopy, mass spectrometry, and XRD analysis.