2-methoxy-4-pyrrolidin-2-yl-phenol | 7167-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-methoxy-4-pyrrolidin-2-yl-phenol
• 英文别名: 2-(4-Hydroxy-3-methoxy-phenyl)pyrrolidin；2-Methoxy-4-(2-pyrrolidinyl)-phenol；2-methoxy-4-pyrrolidin-2-ylphenol
• CAS: 7167-79-5
• 化学式: C₁₁H₁₅NO₂
• mdl: MFCD18703461
• 分子量: 193.246
• InChiKey: IYMBITQIDRLBSY-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C
• 沸点：
  328.3±42.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-4-pyrrolidin-2-yl-phenol 在 氢溴酸 作用下， 以57%的产率得到2-(3,4-dihydroxyphenyl) pyrrolidine
  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：

  在 正丁基锂 、 TEA 、 potassium carbonate 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-methoxy-4-pyrrolidin-2-yl-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

文献信息

• Synthesis of 2-substituted-pyrrolidinethiourea derivatives and their antagonist effect on vanilloid receptor
  作者：Hyeung-geun Park、Mi-kyung Park、Ji-yeon Choi、Sea-hoon Choi、Jihye Lee、Young-ger Suh、Uhtaek Oh、Jeewoo Lee、Hee-Doo Kim、Young-Ho Park、Yeon Su Jeong、Jin Kyu Choi、Sang-sup Jew

  DOI：10.1016/s0960-894x(02)00887-9

  日期：2003.1

  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.