2-(2-chloroethylcarbamoyl)-2,5,7,8-tetramethylchroman-6-yl acetate | 866614-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(2-chloroethylcarbamoyl)-2,5,7,8-tetramethylchroman-6-yl acetate
• CAS: 866614-20-2
• 化学式: C₁₈H₂₄ClNO₄
• 分子量: 353.846
• InChiKey: CLMANKYIUFDWPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(2-chloroethylcarbamoyl)-2,5,7,8-tetramethylchroman-6-yl acetate 在 silver nitrate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以18%的产率得到[2,5,7,8-Tetramethyl-2-(2-nitrooxyethylcarbamoyl)-3,4-dihydrochromen-6-yl] acetate
  参考文献：
  名称：

  Design, synthesis, and biological characterization of potential antiatherogenic nitric oxide releasing tocopherol analogs

  摘要：

  Synthesis and biological characterization of a series of alpha-tocopherol analogs with NO-releasing capacity are reported. The selected NO-donor moieties were nitrooxy and furoxan. All products were tested for their in vitro NO-releasing capacities, vasodilating properties, and antiplatelet activity. They were also capable of preventing LDL oxidation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.060
• 作为产物：
  描述：

  6-acetoxy-2,5,7,8-tetramethylchromane-2-carboxylic acid 在 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 1.5h， 生成 2-(2-chloroethylcarbamoyl)-2,5,7,8-tetramethylchroman-6-yl acetate
  参考文献：
  名称：

  Design, synthesis, and biological characterization of potential antiatherogenic nitric oxide releasing tocopherol analogs

  摘要：

  Synthesis and biological characterization of a series of alpha-tocopherol analogs with NO-releasing capacity are reported. The selected NO-donor moieties were nitrooxy and furoxan. All products were tested for their in vitro NO-releasing capacities, vasodilating properties, and antiplatelet activity. They were also capable of preventing LDL oxidation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.05.060