Tert-butyl 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate | 544481-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Tert-butyl 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
• 英文别名: tert-butyl 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
• CAS: 544481-88-1
• 化学式: C₁₈H₂₇NO₄
• 分子量: 321.417
• InChiKey: RFUBSJFJZIONLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以95%的产率得到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
• 作为产物：
  描述：

  2-羟基-3-(2-苯基-2-氧代)乙基-1,4-萘醌 在 palladium on activated charcoal 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 Tert-butyl 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-1-carboxylate
  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