methyl 2-methoxy-4-methyl-5-methanesulfonamidobenzoate | 90763-13-6

• 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 2-methoxy-4-methyl-5-methanesulfonamidobenzoate
• 英文别名: Methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate；methyl 5-(methanesulfonamido)-2-methoxy-4-methylbenzoate
• CAS: 90763-13-6
• 化学式: C₁₁H₁₅NO₅S
• 分子量: 273.31
• InChiKey: XNDIKFJKIUFNRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-methoxy-4-methyl-5-methanesulfonamidobenzoate 在 sodium hydroxide 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 1.67h， 生成 2-methoxy-4-methyl-5-(N-methylmethanesulfonamido)benzoic acid
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009
• 作为产物：
  描述：

  2-甲氧基-4-甲基-5-硝基苯甲酸甲酯 在 platinum(IV) oxide 吡啶 、 氢气 作用下， 以 甲醇 为溶剂， 反应 0.5h， 生成 methyl 2-methoxy-4-methyl-5-methanesulfonamidobenzoate
  参考文献：
  名称：

  Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides

  摘要：

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00375a009

文献信息

• Synthesis and neuroleptic activity of N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfonamidobenzamides
  作者：Masaru Ogata、Hiroshi Matsumoto、Shiro Kida、Teruo Shiomi、Masami Eigyo、Katsumi Hirose

  DOI：10.1021/jm00375a009

  日期：1984.9

  A series of some novel N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamides involving replacement of the sulfamoyl group in sulpiride with a sulfonamido group was synthesized and tested for dopamine receptor blockade. In comparison with sulpiride, several compounds were considerably more potent than sulpiride as dopamine receptor blockers. The structure-activity relationships are discussed.