3-(4-Bromophenoxy)-1-(tert-butylamino)-2-propanol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-Bromophenoxy)-1-(tert-butylamino)-2-propanol
• 英文别名: 1-(4-Bromophenoxy)-3-(tert-butylamino)propan-2-ol
• 化学式: C₁₃H₂₀BrNO₂
• mdl: MFCD09972492
• 分子量: 302.211
• InChiKey: BEYIXVQIKUZLIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-叔丁基-3-氮杂环丁醇 以47%的产率得到
  参考文献：
  名称：

  Higgins Robert H., Faircloth William J., Baughman Russell G., Eaton Quent+, J. Org. Chem, 59 (1994) N 8, S 2172-2178

  摘要：

  DOI：

文献信息

• DE1236523
  申请人：——

  公开号：——

  公开（公告）日：——
• Ring Opening of Azetidinols by Phenols: Regiochemistry and Stereochemistry
  作者：Robert H. Higgins、William J. Faircloth、Russell G. Baughman、Quentin L. Eaton

  DOI：10.1021/jo00087a038

  日期：1994.4

  Ring opening of a series of 1-alkyl- and 1-benzyl-3-azetidinols by 6-bromophenol without added base is reported. Opening of trans-2-methyl- and cis- and trans-2-phenyl-3-azetidinols is highly regioselective, if not regiospecific. The 2-methyl compounds open by cleavage of the N-C4 bond and the 2-phenyl compounds by cleavage of the N-C2 bond in a highly stereoselective, if not stereospecific, manner, which involves inversion of configuration at C2. The results are rationalized in terms of nucleophilic ring opening of the azetidinium ions.
• Higgins Robert H., Faircloth William J., Baughman Russell G., Eaton Quent+, J. Org. Chem, 59 (1994) N 8, S 2172-2178
  作者：Higgins Robert H., Faircloth William J., Baughman Russell G., Eaton Quent+

  DOI：——

  日期：——