3-(2,3-二甲氧基苯基)-3-氧丙酸甲酯 | 300840-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(2,3-二甲氧基苯基)-3-氧丙酸甲酯
• 英文名称: methyl 3-oxo-3-(2,3-dimethoxyphenyl)propanoate
• 英文别名: Methyl 3-(2,3-dimethoxyphenyl)-3-oxopropanoate
• CAS: 300840-18-0
• 化学式: C₁₂H₁₄O₅
• 分子量: 238.24
• InChiKey: YKNHWGHYAMQMFT-UHFFFAOYSA-N

物化性质

• 沸点：
  314.7±27.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  3-(2,3-二甲氧基苯基)-3-氧丙酸甲酯 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以81%的产率得到methyl 3-hydroxy-3-(2,3-dimethoxyphenyl)propanoate
  参考文献：
  名称：

  N-Sulfonyloxy-β-lactam Inhibitors for β-Lactamases

  摘要：

  Structure-function analysis with a series of N-sulfonyloxy beta-lactam molecules as inhibitors of beta-lactamases is reported. The best of these compounds acylate the active site of the class A TEM-1 beta-lactamase from Escherichia coli rapidly, and resist deacylation. Whereas acylation of the active site of the class C beta-lactamase from Enterobacter cloacae was not seen, these compounds function as competitive inhibitors of this enzyme. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00427-0
• 作为产物：
  描述：

  2,3-二甲氧基苯甲酸 以 四氢呋喃 为溶剂， 反应 42.0h， 生成 3-(2,3-二甲氧基苯基)-3-氧丙酸甲酯
  参考文献：
  名称：

  N-Sulfonyloxy-β-lactam Inhibitors for β-Lactamases

  摘要：

  Structure-function analysis with a series of N-sulfonyloxy beta-lactam molecules as inhibitors of beta-lactamases is reported. The best of these compounds acylate the active site of the class A TEM-1 beta-lactamase from Escherichia coli rapidly, and resist deacylation. Whereas acylation of the active site of the class C beta-lactamase from Enterobacter cloacae was not seen, these compounds function as competitive inhibitors of this enzyme. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00427-0

文献信息

• N-Sulfonyloxy-β-lactam Inhibitors for β-Lactamases
  作者：Alexey Bulychev、John R. Bellettini、Michael O'Brien、Peter J. Crocker、Jean-Pierre Samama、Marvin J. Miller、Shahriar Mobashery

  DOI：10.1016/s0040-4020(00)00427-0

  日期：2000.7

  Structure-function analysis with a series of N-sulfonyloxy beta-lactam molecules as inhibitors of beta-lactamases is reported. The best of these compounds acylate the active site of the class A TEM-1 beta-lactamase from Escherichia coli rapidly, and resist deacylation. Whereas acylation of the active site of the class C beta-lactamase from Enterobacter cloacae was not seen, these compounds function as competitive inhibitors of this enzyme. (C) 2000 Elsevier Science Ltd. All rights reserved.