potassium 2-(benzyloxy)-3-methoxy-3-oxoprop-1-en-1-olate | 1609168-43-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: potassium 2-(benzyloxy)-3-methoxy-3-oxoprop-1-en-1-olate
• CAS: 1609168-43-5
• 化学式: C₁₁H₁₁O₄*K
• 分子量: 246.304
• InChiKey: APZUBKWLLDIXQD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.42
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  58.59
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  potassium 2-(benzyloxy)-3-methoxy-3-oxoprop-1-en-1-olate 、 万古霉素 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Design and synthesis of new vancomycin derivatives

  摘要：

  A set of vancomycin derivatives with lipid chain attached via a glyceric acid linker was designed and synthesized. A concise synthesis towards these derivatives was developed and the IC(50)s of these new lipoglycopeptides were tested. Some of them showed very potent activity against both vancomycin sensitive and resistant strains. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.093
• 作为产物：
  描述：

  苯甲醇 在 氯化亚砜 、 potassium tert-butylate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 15.0h， 生成 potassium 2-(benzyloxy)-3-methoxy-3-oxoprop-1-en-1-olate
  参考文献：
  名称：

  Design and synthesis of new vancomycin derivatives

  摘要：

  A set of vancomycin derivatives with lipid chain attached via a glyceric acid linker was designed and synthesized. A concise synthesis towards these derivatives was developed and the IC(50)s of these new lipoglycopeptides were tested. Some of them showed very potent activity against both vancomycin sensitive and resistant strains. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.03.093