4-nitrobenzoic acid 2-(1,3-dithiolan-2-ylidene)hydrazide | 1366338-30-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-nitrobenzoic acid 2-(1,3-dithiolan-2-ylidene)hydrazide
• 英文别名: N'-(1,3-dithiolan-2-ylidene)-4-nitrobenzohydrazide；N-(1,3-dithiolan-2-ylideneamino)-4-nitrobenzamide
• CAS: 1366338-30-8
• 化学式: C₁₀H₉N₃O₃S₂
• 分子量: 283.332
• InChiKey: NASMYLPAIYGPJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对硝基苯甲酸甲酯 在 一水合肼 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 3.0h， 生成 4-nitrobenzoic acid 2-(1,3-dithiolan-2-ylidene)hydrazide
  参考文献：
  名称：

  Synthesis, characterization, and tuberculostatic activity of novel 2-(4-nitrobenzoyl)hydrazinecarbodithioic acid derivatives

  摘要：

  A series of novel S-esters of 2-(4-nitrobenzoyl)hydrazinecarbodithioic acid and S,S'-diesters of (4-nitrobenzoyl)carbonohydrazonodithioic acid were synthesized by reaction of 4-nitrobenzohydrazide and N-methyl-4-nitrobenzohydrazide with carbon disulfide and alkyl halides in the presence of triethylamine. Novel 5-(4-nitrophenyl)-1,3,4-oxadiazoles were also obtained. The structures were confirmed by IR, NMR, and mass spectroscopy, and by elemental analysis. All the compounds obtained were screened in vitro for their tuberculostatic activity. Promising preliminary results were obtained for some of the compounds. The crystal structure of the most active compound was determined.

  DOI：

  10.1007/s00706-011-0708-y

文献信息

• Synthesis, characterization, and tuberculostatic activity of novel 2-(4-nitrobenzoyl)hydrazinecarbodithioic acid derivatives
  作者：Katarzyna Gobis、Henryk Foks、Ewa Augustynowicz-Kopec、Agnieszka Napiorkowska、Malgorzata Szczesio、Andrzej Olczak、Marek L. Glowka

  DOI：10.1007/s00706-011-0708-y

  日期：2012.4

  A series of novel S-esters of 2-(4-nitrobenzoyl)hydrazinecarbodithioic acid and S,S'-diesters of (4-nitrobenzoyl)carbonohydrazonodithioic acid were synthesized by reaction of 4-nitrobenzohydrazide and N-methyl-4-nitrobenzohydrazide with carbon disulfide and alkyl halides in the presence of triethylamine. Novel 5-(4-nitrophenyl)-1,3,4-oxadiazoles were also obtained. The structures were confirmed by IR, NMR, and mass spectroscopy, and by elemental analysis. All the compounds obtained were screened in vitro for their tuberculostatic activity. Promising preliminary results were obtained for some of the compounds. The crystal structure of the most active compound was determined.