2-(2-hydroxyphenyl)ethyl methanesulfonate | 1009068-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(2-hydroxyphenyl)ethyl methanesulfonate
• CAS: 1009068-68-1
• 化学式: C₉H₁₂O₄S
• 分子量: 216.258
• InChiKey: QMGGQJOQCQOSEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-hydroxyphenyl)ethyl methanesulfonate 、 (S)-2-甲基吡咯烷 以 乙腈 为溶剂， 生成 2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]phenol
  参考文献：
  名称：

  In vitro SAR of pyrrolidine-containing histamine H3 receptor antagonists: Trends across multiple chemical series

  摘要：

  Structure-activity relationships (SAR) were analyzed within a library of diverse yet simple compounds prepared as histamine H-3 antagonists. The libraries were constructed with a variety of low molecular weight pyrrolidines, selected from (R)-2-methylpyrrolidine, (S)-2-methylpyrrolidine, and pyrrolidine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.067
• 作为产物：
  描述：

  邻羟基苯乙醇 、 甲基磺酰氯 以 二氯甲烷 为溶剂， 生成 2-(2-hydroxyphenyl)ethyl methanesulfonate
  参考文献：
  名称：

  In vitro SAR of pyrrolidine-containing histamine H3 receptor antagonists: Trends across multiple chemical series

  摘要：

  Structure-activity relationships (SAR) were analyzed within a library of diverse yet simple compounds prepared as histamine H-3 antagonists. The libraries were constructed with a variety of low molecular weight pyrrolidines, selected from (R)-2-methylpyrrolidine, (S)-2-methylpyrrolidine, and pyrrolidine. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.067