2,2'-(3,3'-(1,4-phenylenebis(((4-chlorophenyl)carbamothioyl)azanediyl))bis(propanoyl))bis(N-(4-chlorophenyl)hydrazine-1-carbothioamide) | 1210053-48-7

• 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: 2,2'-(3,3'-(1,4-phenylenebis(((4-chlorophenyl)carbamothioyl)azanediyl))bis(propanoyl))bis(N-(4-chlorophenyl)hydrazine-1-carbothioamide)
• CAS: 1210053-48-7
• 化学式: C₄₀H₃₆Cl₄N₁₀O₂S₄
• 分子量: 958.868
• InChiKey: BGIDBKHXIVKHQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.52
• 重原子数：
  60.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  136.86
• 氢给体数：
  8.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2'-(3,3'-(1,4-phenylenebis(((4-chlorophenyl)carbamothioyl)azanediyl))bis(propanoyl))bis(N-(4-chlorophenyl)hydrazine-1-carbothioamide) 在 potassium hydroxide 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of azoles based on N,N′-bis(hydrazinocarbonyl-ethyl)-1,4-phenylenediamine

  摘要：

  N,N'-Bis[(1-methyl-3-oxobutylidene)hydrazinocarbonylethyl]-, N,N'-bis[(2,5-dimethylpyrrol-1-yl)carbamoylethyl]-, N, N'-bis(phenylureidocarbamoylethyl)-, N, N'-bis(phenylcarbamoyl)-, N, N'-bis(phenylureidocarbamoylethyl)-, and N, N'-bis[(4,5-dihydro-5-oxo-4-phenyl-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamines, and their thio analogs were obtained by the condensation of N, N'-bis( hydrazinocarbonylethyl)-1,4-phenylenediamine with 2,4-pentanedione, 2,5-hexanedione, phenyl isocyanates, or phenyl isothiocyanates (with subsequent treatment of the obtained semicarbazides with alkali), and carbon disulfide respectively.

  DOI：

  10.1007/s10593-009-0361-0
• 作为产物：
  描述：

  N,N'-bis(hydrazinocarbonylethyl)-1,4-phenylenediamine 、 4-氯异硫氰酸苯酯 以 甲醇 为溶剂， 生成 2,2'-(3,3'-(1,4-phenylenebis(((4-chlorophenyl)carbamothioyl)azanediyl))bis(propanoyl))bis(N-(4-chlorophenyl)hydrazine-1-carbothioamide)
  参考文献：
  名称：

  Synthesis of azoles based on N,N′-bis(hydrazinocarbonyl-ethyl)-1,4-phenylenediamine

  摘要：

  N,N'-Bis[(1-methyl-3-oxobutylidene)hydrazinocarbonylethyl]-, N,N'-bis[(2,5-dimethylpyrrol-1-yl)carbamoylethyl]-, N, N'-bis(phenylureidocarbamoylethyl)-, N, N'-bis(phenylcarbamoyl)-, N, N'-bis(phenylureidocarbamoylethyl)-, and N, N'-bis[(4,5-dihydro-5-oxo-4-phenyl-1,2,4-triazol-3-yl)ethyl]-1,4-phenylenediamines, and their thio analogs were obtained by the condensation of N, N'-bis( hydrazinocarbonylethyl)-1,4-phenylenediamine with 2,4-pentanedione, 2,5-hexanedione, phenyl isocyanates, or phenyl isothiocyanates (with subsequent treatment of the obtained semicarbazides with alkali), and carbon disulfide respectively.

  DOI：

  10.1007/s10593-009-0361-0