2,2-dimethyl-5-[8-(4-methylbenzenesulfonate)quinolin-2-ylamino]-methylene-1,3-dioxane-4,6-dione | 1146771-54-1

• 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: 2,2-dimethyl-5-[8-(4-methylbenzenesulfonate)quinolin-2-ylamino]-methylene-1,3-dioxane-4,6-dione
• 英文别名: [2-[(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]quinolin-8-yl] 4-methylbenzenesulfonate
• CAS: 1146771-54-1
• 化学式: C₂₃H₂₀N₂O₇S
• 分子量: 468.487
• InChiKey: JFFSGNUMQMFYOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  129
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  丙二酸环(亚)异丙酯 、 2-aminoquinolin-8-yl-4-methylbenzenesulfonate 、 原甲酸三甲酯 反应 2.0h， 以71%的产率得到2,2-dimethyl-5-[8-(4-methylbenzenesulfonate)quinolin-2-ylamino]-methylene-1,3-dioxane-4,6-dione
  参考文献：
  名称：

  Investigation of Chemoselective Reaction of 2-Amino-8-hydroxyquinoline with Arylsulfonylchloride Derivatives

  摘要：

  The reactions of 2-amino-8-hydroxyquinoline and 2-amino-4(1H)quinolone with different sulfonyl chlorides have been investigated. The chemoselectivity was observed to afford exclusively the arylsulfonate ester derivatives. The mechanism of the reaction is also discussed.

  DOI：

  10.1080/00397910802527730

文献信息

• Investigation of Chemoselective Reaction of 2-Amino-8-hydroxyquinoline with Arylsulfonylchloride Derivatives
  作者：Luiz Everson Da Silva、Paulo Teixieira De Sousa、Antonio Carlos Joussef

  DOI：10.1080/00397910802527730

  日期：2009.3.25

  The reactions of 2-amino-8-hydroxyquinoline and 2-amino-4(1H)quinolone with different sulfonyl chlorides have been investigated. The chemoselectivity was observed to afford exclusively the arylsulfonate ester derivatives. The mechanism of the reaction is also discussed.