2-aminomethyl-5-tert-butylphenol | 691364-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-aminomethyl-5-tert-butylphenol
• 英文别名: 2-(Aminomethyl)-5-tert-butylphenol
• CAS: 691364-46-2
• 化学式: C₁₁H₁₇NO
• 分子量: 179.262
• InChiKey: PWOCHOFQRPPKPU-UHFFFAOYSA-N

物化性质

• 沸点：
  295.1±25.0 °C(Predicted)
• 密度：
  1.027±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-aminomethyl-5-tert-butylphenol 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 2,2-Dimethyl-propionic acid 5-tert-butyl-2-[3-(4-methanesulfonylamino-benzyl)-thioureidomethyl]-phenyl ester
  参考文献：
  名称：

  N-4-Methansulfonamidobenzyl-N′-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands

  摘要：

  A series of N-4-methansulfonamidobenzyl-M-2-substituted-4-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that there is a space for another hydrophobic binding interaction around 2-position in 4-tert-butylbenzyl region. Among the prepared derivatives, 6n show the highest antagonistic activity against the vanilloid receptor (IC50 = 15 nM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.041
• 作为产物：
  描述：

  3-叔丁基苯酚 在 lithium aluminium tetrahydride 作用下， 以 乙醚 、 1,2-二氯乙烷 为溶剂， 反应 18.33h， 生成 2-aminomethyl-5-tert-butylphenol
  参考文献：
  名称：

  N-4-Methansulfonamidobenzyl-N′-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands

  摘要：

  A series of N-4-methansulfonamidobenzyl-M-2-substituted-4-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that there is a space for another hydrophobic binding interaction around 2-position in 4-tert-butylbenzyl region. Among the prepared derivatives, 6n show the highest antagonistic activity against the vanilloid receptor (IC50 = 15 nM). (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.041

文献信息

• NOVEL BRONCHODILATING DIAZAHETEROARYLS
  申请人：Johansson Martin

  公开号：US20120040942A1

  公开（公告）日：2012-02-16

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

  这项发明涉及具有通式（I）的新化合物，这些化合物可用于治疗由支气管痉挛引起的疾病或疾病，例如慢性阻塞性肺疾病（COPD）和哮喘。
• [EN] NOVEL BRONCHODILATING DIAZAHETEROARYLS<br/>[FR] NOUVEAUX DIAZAHÉTÉROARYLES BRONCHODILATATEURS
  申请人：RESPIRATORIUS AB

  公开号：WO2010097410A1

  公开（公告）日：2010-09-02

  The invention relates to novel compounds having the general formula (I), and which compounds are useful to treat a disorder or disease characterized by bronchoconstriction, e.g. COPD and asthma.

  这项发明涉及具有通式（I）的新化合物，这些化合物可用于治疗由支气管痉挛引起的疾病或疾病，例如慢性阻塞性肺疾病（COPD）和哮喘。
• US8415333B2
  申请人：——

  公开号：US8415333B2

  公开（公告）日：2013-04-09
• N-4-Methansulfonamidobenzyl-N′-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands
  作者：Hyeung-geun Park、Ji-yeon Choi、Sea-hoon Choi、Mi-kyung Park、Jihye Lee、Young-Ger Suh、Hawon Cho、Uhtaek Oh、Hee-Doo Kim、Yung Hyup Joo、Sun-Young Kim、Young-Ho Park、Yeon Su Jeong、Jin Kyu Choi、Jin Kwan Kim、Sang-sup Jew

  DOI：10.1016/j.bmcl.2004.01.041

  日期：2004.4

  A series of N-4-methansulfonamidobenzyl-M-2-substituted-4-tert-butylbenzyl thioureas were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor in rat DRG neurons. Their structure-activity relationship reveals that there is a space for another hydrophobic binding interaction around 2-position in 4-tert-butylbenzyl region. Among the prepared derivatives, 6n show the highest antagonistic activity against the vanilloid receptor (IC50 = 15 nM). (C) 2004 Elsevier Ltd. All rights reserved.