methyl 5-fluoro-2-methoxy-3-nitrobenzoate | 151793-21-4

• 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 5-fluoro-2-methoxy-3-nitrobenzoate
• CAS: 151793-21-4
• 化学式: C₉H₈FNO₅
• 分子量: 229.165
• InChiKey: YDKNLBGEMKEVIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 5-fluoro-2-methoxy-3-nitrobenzoate 在 Ni-Raney sodium hydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 反应 1.17h， 生成 3-amino-5-fluoro-2-methoxybenzoic acid
  参考文献：
  名称：

  Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides

  摘要：

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.

  DOI：

  10.1016/0223-5234(93)90129-3
• 作为产物：
  描述：

  5-氟-2-甲氧基苯甲酸甲酯 在 硫酸 、 硝酸 作用下， 以54%的产率得到methyl 5-fluoro-2-methoxy-3-nitrobenzoate
  参考文献：
  名称：

  Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides

  摘要：

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.

  DOI：

  10.1016/0223-5234(93)90129-3

文献信息

• Synthesis and preliminary data on new selective and potent gastric prokinetic substituted benzamides
  作者：L Del Corona、G Signorelli、A Pinzetta、G Coppi

  DOI：10.1016/0223-5234(93)90129-3

  日期：1993.1

  A series of amino-halogen-N-[2-aminoethyl] benzamides was synthesized and evaluated for enhancing gastric emptying. Compared to metoclopramide, domperidone and bromopride, a number of compounds were shown to be more active in enhancing gastric motility (rat stomach emptying), devoid of dopaminergic D2-receptor antagonism (rat apomorphine test) and to be less toxic.