benzyl O-(dimethylcarbamoyl)-3,5-dibromosalicylate | 107575-66-6

• 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: benzyl O-(dimethylcarbamoyl)-3,5-dibromosalicylate
• 英文别名: Benzyl 3,5-dibromo-2-(dimethylcarbamoyloxy)benzoate
• CAS: 107575-66-6
• 化学式: C₁₇H₁₅Br₂NO₄
• 分子量: 457.118
• InChiKey: FHQZUBIFNAGWQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-dibromosalicylic acid 在 N-甲基吗啉 、 对甲苯磺酸 作用下， 以 吡啶 、 苯 为溶剂， 反应 90.0h， 生成 benzyl O-(dimethylcarbamoyl)-3,5-dibromosalicylate
  参考文献：
  名称：

  O-Carbamoylsalicylates: agents for modification of hemoglobins

  摘要：

  To combine the attractive features of cyanate and of O-acetylsalicylate as hemoglobin-modifying agents we have prepared carbamoylsalicylate. This compound is a close analogue of aspirin and also resembles a masked cyanate. O-Carbamoylsalicylate and some related carbamates modify hemoglobin substantially, even at 5 mM concentration.

  DOI：

  10.1021/jm00388a034

文献信息

• PARAMESWARAN KUMARAPURAM N.; SHI GUEY-YEH; KLOTZ I. M., J. MED. CHEM., 30,(1987) N 5, 936-939
  作者：PARAMESWARAN KUMARAPURAM N.、 SHI GUEY-YEH、 KLOTZ I. M.

  DOI：——

  日期：——
• O-Carbamoylsalicylates: agents for modification of hemoglobins
  作者：Kumarapuram N. Parameswaran、Guey Yeh Shi、Irving M. Klotz

  DOI：10.1021/jm00388a034

  日期：1987.5

  To combine the attractive features of cyanate and of O-acetylsalicylate as hemoglobin-modifying agents we have prepared carbamoylsalicylate. This compound is a close analogue of aspirin and also resembles a masked cyanate. O-Carbamoylsalicylate and some related carbamates modify hemoglobin substantially, even at 5 mM concentration.