benzyl O-carbamoylsalicylate | 107575-65-5

• 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-carbamoylsalicylate
• 英文别名: 2-Carbamoyloxy-benzoic acid benzyl ester；benzyl 2-carbamoyloxybenzoate
• CAS: 107575-65-5
• 化学式: C₁₅H₁₃NO₄
• 分子量: 271.273
• InChiKey: TYQPDRVZTUVMPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzyl O-carbamoylsalicylate 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以49%的产率得到O-carbamoylsalicylic acid
  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
• 作为产物：
  描述：

  氯磺酰异氰酸酯 、 柳酸苄酯 以 二氯甲烷 为溶剂， 反应 2.0h， 以85%的产率得到benzyl O-carbamoylsalicylate
  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.