2-[(4-Hydroxy-3-hydroxymethyl-phenylamino)-methylene]-malonic acid diethyl ester | 175437-10-2

• 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: 2-[(4-Hydroxy-3-hydroxymethyl-phenylamino)-methylene]-malonic acid diethyl ester
• CAS: 175437-10-2
• 化学式: C₁₅H₁₉NO₆
• 分子量: 309.319
• InChiKey: WXASERRVRVXXME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.31
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  105.09
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  2-[(4-Hydroxy-3-hydroxymethyl-phenylamino)-methylene]-malonic acid diethyl ester 以 二苯醚 为溶剂， 以70%的产率得到ethyl 6-hydroxy-7-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxylate
  参考文献：
  名称：

  Syntheses and exploration of new biological activities in ethyl 6/7-substituted and 6, 7-disubstituted quinolin-4-one-3-carboxylates

  摘要：

  Syntheses of a number of ethyl 1H, 4H-quinolin-4-one-3-carboxylates carrying substituted piperidinedione ring at position 6 (25 & 31-35), tetrahydrofuranone (37) or tetraydropyridazinone ring (39) at position 7 and hydroxy and hydroxymethyl substituents at positions 6 and 7 respectively (41) of the quinolone ring, are reported here, of these compounds on the in vitro heme polymerase activity of Plasmodia and on the in vitro fungal growth are described.

  DOI：

  10.1016/0960-894x(95)00577-g
• 作为产物：
  描述：

  2-羟基-5-硝基苄醇 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 2-[(4-Hydroxy-3-hydroxymethyl-phenylamino)-methylene]-malonic acid diethyl ester
  参考文献：
  名称：

  Syntheses and exploration of new biological activities in ethyl 6/7-substituted and 6, 7-disubstituted quinolin-4-one-3-carboxylates

  摘要：

  Syntheses of a number of ethyl 1H, 4H-quinolin-4-one-3-carboxylates carrying substituted piperidinedione ring at position 6 (25 & 31-35), tetrahydrofuranone (37) or tetraydropyridazinone ring (39) at position 7 and hydroxy and hydroxymethyl substituents at positions 6 and 7 respectively (41) of the quinolone ring, are reported here, of these compounds on the in vitro heme polymerase activity of Plasmodia and on the in vitro fungal growth are described.

  DOI：

  10.1016/0960-894x(95)00577-g