2,6-dimethyl-4-heptanone thiosemicarbazone | 14673-62-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,6-dimethyl-4-heptanone thiosemicarbazone
• 英文别名: 2,6-dimethyl-heptan-4-one thiosemicarbazone；2,6-Dimethyl-heptan-4-on-thiosemicarbazon；(2,6-Dimethylheptan-4-ylideneamino)thiourea
• CAS: 14673-62-2
• 化学式: C₁₀H₂₁N₃S
• 分子量: 215.363
• InChiKey: JUEYZHZSQSPVBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,6-dimethyl-4-heptanone thiosemicarbazone 以 乙醇 、 丙酮 为溶剂， 反应 3.17h， 生成 2-[N'-(1-Isobutyl-3-methyl-butylidene)-hydrazino]-5-phenyl-thiazole-4-carboxylic acid methyl ester; hydrochloride
  参考文献：
  名称：

  Reaction of methyl 3-phenyl-3-chloro-2-oxopropionate with thiosemicarbazones

  摘要：

  The reaction of methyl 3-phenyl-3-chloro-2-oxopropionate with thiosemicarbazones proceeds via the intermediate formation of methyl [S-(1'-alkylideneiso-thiosemicarbazidyl)]-3-phenyl-2-oxopropionate hydrochlorides, which then cyclize to novel 4-methoxycarbonyl-5-phenyl-2-substituted thiazoles. Hydrolysis of the intermediate products and the thiazoles obtained therefrom with simultaneous distillation of the carbonyl compound affords 2-hydrazino-4-methoxycarbonyl-5-phenylthiazole.

  DOI：

  10.1007/bf00961310
• 作为产物：
  描述：

  二异丁基酮 生成 2,6-dimethyl-4-heptanone thiosemicarbazone
  参考文献：
  名称：

  Chabrier; Cattelain, Bulletin de la Societe Chimique de France, 1950, p. 48,53

  摘要：

  DOI：

文献信息

• Semicarbazones and thiosemicarbazones, XIII: Study of the hydrolysis of coordinated thiosemicarbazones
  作者：Armando Cabrera、Alfonso Diaz-Tejeda、Carmen Marquez、Jes�s Vald�s-Mart�nez

  DOI：10.1007/bf00810822

  日期：1991.4

  The hydrolysis of coordinated thiosemicarbazones was studied. It was found that the nickel(II) ion promotes the reaction. Steric and electronic influences were found. The hydrolysis of ATSC in the trigonal bipyramid compounds [M(ATSC)2Cl]Cl[M = Fe(II), Co(II), Ni(II)], is higher with the Ni(II) complex, the compound with the shorter M-N distance.
• Bhal, L.; Singh, R. V.; Tandon, J. P., Acta Chimica Hungarica, 1984, vol. 115, # 3, p. 251 - 260
  作者：Bhal, L.、Singh, R. V.、Tandon, J. P.

  DOI：——

  日期：——
• Synthesis of physiologically active compounds of the thiosemicarbazone series and derivatives
  作者：A. F. Pavlenko、S. D. Moshchitskii

  DOI：10.1007/bf01172547

  日期：1967.7