methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate | 1018812-86-6

• 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: methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate
• 英文别名: Methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate
• CAS: 1018812-86-6
• 化学式: C₁₅H₁₅NO₆
• 分子量: 305.287
• InChiKey: RQQJPCWHZKOICQ-UHFFFAOYSA-N

物化性质

• 沸点：
  515.7±50.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate 以 二苯醚 为溶剂， 生成 methyl 4-hydroxyquinoline-7-carboxylate 、 4-氧代-1H-喹啉-5-羧酸甲酯
  参考文献：
  名称：

  Strategic studies in the syntheses of novel 6,7-substituted quinolones and 7- or 6-substituted 1,6- and 1,7-naphthyridones

  摘要：

  This paper describes the different strategies devised and applied to overcome the selectivity issues in the syntheses of 6,7-disubstituted-1H-quinolin-4-one, 7-substituted-1H-1,6-naphthyridin-4-one and 6-substituted-1H-1,7-naphthyridin-4-one derivatives. They allowed us to improve the overall yields and the scating-up feasibility. Several examples illustrate these strategies with their advantages and drawbacks. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.055
• 作为产物：
  描述：

  3-氨基苯甲酸甲酯 、 5-(甲氧基甲烯基)-2,2-二甲基-1,3-二氧己环-4,6-二酮 以 异丙醇 为溶剂， 以92%的产率得到methyl 3-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]benzoate
  参考文献：
  名称：

  Strategic studies in the syntheses of novel 6,7-substituted quinolones and 7- or 6-substituted 1,6- and 1,7-naphthyridones

  摘要：

  This paper describes the different strategies devised and applied to overcome the selectivity issues in the syntheses of 6,7-disubstituted-1H-quinolin-4-one, 7-substituted-1H-1,6-naphthyridin-4-one and 6-substituted-1H-1,7-naphthyridin-4-one derivatives. They allowed us to improve the overall yields and the scating-up feasibility. Several examples illustrate these strategies with their advantages and drawbacks. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.01.055

文献信息

• Strategic studies in the syntheses of novel 6,7-substituted quinolones and 7- or 6-substituted 1,6- and 1,7-naphthyridones
  作者：Rémy Morgentin、Georges Pasquet、Pascal Boutron、Frédéric Jung、Maryannick Lamorlette、Mickaël Maudet、Patrick Plé

  DOI：10.1016/j.tet.2008.01.055

  日期：2008.3

  This paper describes the different strategies devised and applied to overcome the selectivity issues in the syntheses of 6,7-disubstituted-1H-quinolin-4-one, 7-substituted-1H-1,6-naphthyridin-4-one and 6-substituted-1H-1,7-naphthyridin-4-one derivatives. They allowed us to improve the overall yields and the scating-up feasibility. Several examples illustrate these strategies with their advantages and drawbacks. (C) 2008 Elsevier Ltd. All rights reserved.