2-Methoxy-4-[2-(2-phenylethylamino)ethyl]phenol | 785725-14-6

• 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-(2-phenylethylamino)ethyl]phenol
• CAS: 785725-14-6
• 化学式: C₁₇H₂₁NO₂
• 分子量: 271.359
• InChiKey: SAENVBBKIQEAAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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-苯基乙基异硫代氰酸酯 、 2-Methoxy-4-[2-(2-phenylethylamino)ethyl]phenol 以 二氯甲烷 为溶剂， 生成 1-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]-1,3-bis(2-phenylethyl)thiourea
  参考文献：
  名称：

  Synthesis of N,N′,N″-trisubstituted thiourea derivatives and their antagonist effect on the vanilloid receptor

  摘要：

  Twenty-seven N,N',N"-trisubstituted thiourea derivatives were prepared. Among them, 1-[3-(4'-hydroxy-3'-methoxy- phenyl)-propyl]-1.3-diphenethyl-thiourea (81, IC50=0.32 muM), showed 2-fold higher antagonistic actively than that of capsazepine (3, IC50 = 0.65 muM) against the,anilloid receptor in a Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01040-5
• 作为产物：
  描述：

  2-(4-羟基-3-甲氧基苯基)乙醛 、 2-苯乙胺 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 2-Methoxy-4-[2-(2-phenylethylamino)ethyl]phenol
  参考文献：
  名称：

  Synthesis of N,N′,N″-trisubstituted thiourea derivatives and their antagonist effect on the vanilloid receptor

  摘要：

  Twenty-seven N,N',N"-trisubstituted thiourea derivatives were prepared. Among them, 1-[3-(4'-hydroxy-3'-methoxy- phenyl)-propyl]-1.3-diphenethyl-thiourea (81, IC50=0.32 muM), showed 2-fold higher antagonistic actively than that of capsazepine (3, IC50 = 0.65 muM) against the,anilloid receptor in a Ca-45(2+)-influx assay. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01040-5