[1-(4-methylpyridinio)]thiobenzoylaminide | 110886-03-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [1-(4-methylpyridinio)]thiobenzoylaminide
• 英文别名: N-(4-methylpyridin-1-ium-1-yl)benzenecarboximidothioate
• CAS: 110886-03-8
• 化学式: C₁₃H₁₂N₂S
• 分子量: 228.318
• InChiKey: NNKOIJOEJGFHEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  17.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1-(4-methylpyridinio)]thiobenzoylaminide 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 反应 24.0h， 生成 5-Methyl-2-phenylpyrazolo[1,5-a]pyridine-3-carbonitrile
  参考文献：
  名称：

  Kakehi, Akikazu; Ito, Suketaka; Nagata, Kenji, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 1, p. 156 - 169

  摘要：

  DOI：
• 作为产物：
  描述：

  二硫代苯甲酸甲酯 、 1-amino-4-methylpyridinium iodide 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以96%的产率得到[1-(4-methylpyridinio)]thiobenzoylaminide
  参考文献：
  名称：

  Kakehi, Akikazu; Ito, Suketaka; Nagata, Kenji, Chemical and pharmaceutical bulletin, 1987, vol. 35, # 1, p. 156 - 169

  摘要：

  DOI：

文献信息

• Preparation of New Nitrogen-Bridged Heterocycles. 43.¹ Synthesis and Reaction of 5a<i>H</i>-Pyrido[1,2-<i>d</i>][1,3,4]thiadiazepine Derivatives
  作者：Akikazu Kakehi、Suketaka Ito、Fumihito Ishida、Yoshinori Tominaga

  DOI：10.1021/jo971066o

  日期：1997.10.1

  Reactions of some 1-pyridinio- and 1-(4-methylpyridinio)(arenethiocarbonyl) with dimethyl acetylenedicarboxylate in chloroform afforded neither the expected dimethyl 2-aryl-5aH-pyrido-[1,2-d][1,3,4]thiadiazepine-4,5-dicarboxylates nor their intramolecular Diels-Alder adducts, but gave novel rearranged products, dimethyl 4-aryl-5-thia-2,3-diazatricyclo[4.3.2.0(2,7)]undeca-3,8,10-triene-6,11-dicarboxylates in low to moderate yields. On the other hand, similar reactions of 1-(3-methylpyridinio)- and 1-(2-methylquinolinio)(arenethiocarbonyl)amidates with the same reagent provided 1:1 primary adducts, dimethyl 2-aryl-6-methyl-5aH-pyrido[1,2-d][1,3,4]thiadiazepine-4,5-dicarboxylates and dimethyl 2-aryl-5a-methyl-5aH-[1,3,4]thiadiazepino[4,5-alpha]quinoline-4,5-dicarboxylates, respectively.
• KAKEHI AKIKAZU; ITO SUKETAKA; NAGATA KENJI; KINOSHITA NAOSUMI; KAKINUMA N+, CHEM. AND PHARM. BULL., 35,(1987) N 1, 156-169
  作者：KAKEHI AKIKAZU、 ITO SUKETAKA、 NAGATA KENJI、 KINOSHITA NAOSUMI、 KAKINUMA N+

  DOI：——

  日期：——
• Reaction of 1-Pyridiniothiobenzoylaminides with Dimethyl Acetylenedicarboxylate
  作者：Akikazu Kakehi、Suketaka Ito、Fumihito Ishida、Yoshinori Tominaga

  DOI：10.3987/com-95-7275

  日期：——

  The reactions of 1-pyridiniothiobenzoylaminides with dimethyl acetylenedicarboxylate in chloroform at 50-60 degrees C provided dimethyl 5-thia-2,3-diazatricyclo[4.3.2.0(2,7)]undeca-3,8,10-triene-6,11- dicarboxylate derivatives in moderate yields. The structures of these products were assumed by their spectral and analytical data and determined finally by the X-ray analysis of one compound.