1-[(1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbonyl)amino]-3-(2-methylphenyl)thiourea | 1262143-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-[(1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbonyl)amino]-3-(2-methylphenyl)thiourea
• CAS: 1262143-78-1
• 化学式: C₂₂H₂₀F₂N₄O₃S
• 分子量: 458.489
• InChiKey: RMDNJSFBWKXVGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[(1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbonyl)amino]-3-(2-methylphenyl)thiourea 在 硫酸 作用下， 反应 0.58h， 以80%的产率得到1-Cyclopropyl-6,7-difluoro-8-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]quinolin-4-one
  参考文献：
  名称：

  Green synthesis and biological evaluation of some novel azoles as antimicrobial agents

  摘要：

  A series of novel fluorine-containing triazoles 3, thiadiazoles 4, and oxadiazoles 5 were synthesized from thiosemicarbazides 2. These reactions were carried out by green technique such as ultrasonication and microwave. All products have been characterized by IR, H-1 NMR, and Mass spectral study and screened for their antimicrobial activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.111
• 作为产物：
  描述：

  1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carbohydrazide 、 邻甲苯异硫氰酸酯 以 乙醇 为溶剂， 反应 1.0h， 以81%的产率得到1-[(1-Cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carbonyl)amino]-3-(2-methylphenyl)thiourea
  参考文献：
  名称：

  Green synthesis and biological evaluation of some novel azoles as antimicrobial agents

  摘要：

  A series of novel fluorine-containing triazoles 3, thiadiazoles 4, and oxadiazoles 5 were synthesized from thiosemicarbazides 2. These reactions were carried out by green technique such as ultrasonication and microwave. All products have been characterized by IR, H-1 NMR, and Mass spectral study and screened for their antimicrobial activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.111