4-Hydroxy-4-(3-nitro-phenyl)-butyric acid methyl ester | 175436-91-6

• 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: 4-Hydroxy-4-(3-nitro-phenyl)-butyric acid methyl ester
• 英文别名: Methyl 4-hydroxy-4-(3-nitrophenyl)butanoate
• CAS: 175436-91-6
• 化学式: C₁₁H₁₃NO₅
• mdl: MFCD16211121
• 分子量: 239.228
• InChiKey: JDPCYRUDXLSAAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Hydroxy-4-(3-nitro-phenyl)-butyric acid methyl ester 生成 5-(3-nitro-phenyl)-tetrahydrofuran-2-one
  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：

  3-苯丙烯溴酸酯 在 sodium tetrahydroborate 、 三氟化硼乙醚 、 硝酸 作用下， 以 甲醇 为溶剂， 生成 4-Hydroxy-4-(3-nitro-phenyl)-butyric acid methyl 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