N-butyl-1,3-benzodioxole-5-methanamine hydrochloride | 935250-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-butyl-1,3-benzodioxole-5-methanamine hydrochloride
• 英文别名: [(2H-1,3-benzodioxol-5-yl)methyl](butyl)amine hydrochloride；N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine;hydrochloride
• CAS: 935250-89-8
• 化学式: C₁₂H₁₇NO₂*ClH
• 分子量: 243.733
• InChiKey: ZJZQYYIYLCBNFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.73
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  胡椒醛 、 正丁胺 在 氯仿 、 10% Pd/C 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 4.0h， 以98%的产率得到N-butyl-1,3-benzodioxole-5-methanamine hydrochloride
  参考文献：
  名称：

  Self-modulated highly chemoselective direct-reductive-amination (DRA) of benzaldehydes straightforward to N-monosubstituted benzylamine hydrochlorides

  摘要：

  All unprecedented efficient and chemoselective DRA of benzaldehydes and primary amines was developed to directly yield N-monosubstituted benzylamine hydrochlorides as single products in practically quantitative yields. The method was characterized by simply adding a few milliliters of CHCl3 in the conventional Pd-C catalytic hydrogenation system at atmospheric pressure and room temperature. A self-modulated system and a four-stage cyclic pathway were proposed. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.09.072

文献信息

• Self-modulated highly chemoselective direct-reductive-amination (DRA) of benzaldehydes straightforward to N-monosubstituted benzylamine hydrochlorides
  作者：Lixin Xing、Chuanjie Cheng、Rui Zhu、Boyang Zhang、Xinyan Wang、Yuefei Hu

  DOI：10.1016/j.tet.2008.09.072

  日期：2008.12

  All unprecedented efficient and chemoselective DRA of benzaldehydes and primary amines was developed to directly yield N-monosubstituted benzylamine hydrochlorides as single products in practically quantitative yields. The method was characterized by simply adding a few milliliters of CHCl3 in the conventional Pd-C catalytic hydrogenation system at atmospheric pressure and room temperature. A self-modulated system and a four-stage cyclic pathway were proposed. (C) 2008 Elsevier Ltd. All rights reserved.