2-Methoxy-4-(2-pyrrolidin-2-yl-ethyl)-phenol | 544481-89-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-Methoxy-4-(2-pyrrolidin-2-yl-ethyl)-phenol
• 英文别名: 2-methoxy-4-(2-pyrrolidin-2-ylethyl)phenol
• CAS: 544481-89-2
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: DHKMCFYEPIWABZ-UHFFFAOYSA-N

物化性质

• 沸点：
  361.6±22.0 °C(Predicted)
• 密度：
  1.077±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  41.49
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-Methoxy-4-(2-pyrrolidin-2-yl-ethyl)-phenol 在 氢溴酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-[2-(3,4-dihydroxyphenyl)ethyl]-N-(2-phenylethyl)pyrrolidine-1-carbothioamide
  参考文献：
  名称：

  Synthesis of 2-substituted-pyrrolidinethiourea derivatives and their antagonist effect on vanilloid receptor

  摘要：

  Four pyrrolidine derivatives were prepared by the formation of a 5-membered ring based on capsazepine. Among them, the two carbon extended derivatives, 4a (IC50 = 55 muM) and 4b (IC50 = 3 muM), both showed different levels of antagonist activity against the vanilloid receptor in a Ca-45(2+)-influx assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00887-9
• 作为产物：
  描述：

  tert-butyl 2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]pyrrolidine-1-carboxylate 在 palladium on activated charcoal 氢气 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-Methoxy-4-(2-pyrrolidin-2-yl-ethyl)-phenol
  参考文献：
  名称：

  Synthesis of 2-substituted-pyrrolidinethiourea derivatives and their antagonist effect on vanilloid receptor

  摘要：

  Four pyrrolidine derivatives were prepared by the formation of a 5-membered ring based on capsazepine. Among them, the two carbon extended derivatives, 4a (IC50 = 55 muM) and 4b (IC50 = 3 muM), both showed different levels of antagonist activity against the vanilloid receptor in a Ca-45(2+)-influx assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00887-9