4-[2-(2-吡咯烷基)乙基]-1,2-苯二酚 | 596810-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-[2-(2-吡咯烷基)乙基]-1,2-苯二酚
• 英文名称: 4-(2-(Pyrrolidin-2-yl)ethyl)benzene-1,2-diol
• 英文别名: 4-(2-pyrrolidin-2-ylethyl)benzene-1,2-diol
• CAS: 596810-83-2
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: VKCKPCZQIRUOCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  384.3±22.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-苯基乙基异硫代氰酸酯 、 4-[2-(2-吡咯烷基)乙基]-1,2-苯二酚 以 二氯甲烷 为溶剂， 以82%的产率得到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：

  2-Methoxy-4-(2-pyrrolidin-2-yl-ethyl)-phenol 在 氢溴酸 作用下， 以67%的产率得到4-[2-(2-吡咯烷基)乙基]-1,2-苯二酚
  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.