3-(环戊基氧基)-1-丙胺 | 2839-90-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-(环戊基氧基)-1-丙胺
• 中文别名: 3-(环戊氧基)丙-1-胺；3-(环戊氧基)丙胺；[3-(环戊氧基)丙基]胺
• 英文名称: 3-Cyclopentyloxypropylamin
• 英文别名: 3-Aminopropyl-cyclopentylether；3-(Cyclopentyloxy)propan-1-amine；3-cyclopentyloxypropan-1-amine
• CAS: 2839-90-9
• 化学式: C₈H₁₇NO
• mdl: MFCD09739039
• 分子量: 143.229
• InChiKey: FWQQFSANSSOLKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  1-甲基-1H-吡唑-4-甲醛 、 3-(环戊基氧基)-1-丙胺 以 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 反应 6.0h， 生成 1-(3-Cyclopentyloxypropyl)-2-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carboxylic acid
  参考文献：
  名称：

  Toward Lead-Oriented Synthesis: One-Pot Version of Castagnoli Condensation with Nonactivated Alicyclic Anhydrides

  摘要：

  One-pot variation of Castagnoli condensation, that is, reaction of cyclic anhydrides, amines, and aldehydes, has been developed as a combinatorial approach to 1,2-disubstituted 5-oxopyrrolidine- and 6-oxopiperidine-3-carboxylic acids, as well as their benzo-analogues. Utility of the method to multigram preparation of building blocks and synthetic intermediates was also demonstrated. The final products are obtained in high yields and diastereoselectivity. The method fits well in the concept of lead-oriented synthesis; in particular, it can be used for the design of lead-like Compound libraries, even if the strictest cut-offs are applied to the physicochemical properties of their members.

  DOI：

  10.1021/co4001277
• 作为产物：
  描述：

  环戊醇 在 Rh catalyst 氨 、 氢气 、 sodium methylate 作用下， 以 乙醇 为溶剂， 生成 3-(环戊基氧基)-1-丙胺
  参考文献：
  名称：

  A Low Pressure Process for the Reduction of Nitriles. Use of Rhodium Catalyst¹

  摘要：

  DOI：

  10.1021/ja01494a067

文献信息

• Toward Lead-Oriented Synthesis: One-Pot Version of Castagnoli Condensation with Nonactivated Alicyclic Anhydrides
  作者：Sergey V. Ryabukhin、Dmitriy M. Panov、Dmitry S. Granat、Eugeniy N. Ostapchuk、Dmitriy V. Kryvoruchko、Oleksandr O. Grygorenko

  DOI：10.1021/co4001277

  日期：2014.3.10

  One-pot variation of Castagnoli condensation, that is, reaction of cyclic anhydrides, amines, and aldehydes, has been developed as a combinatorial approach to 1,2-disubstituted 5-oxopyrrolidine- and 6-oxopiperidine-3-carboxylic acids, as well as their benzo-analogues. Utility of the method to multigram preparation of building blocks and synthetic intermediates was also demonstrated. The final products are obtained in high yields and diastereoselectivity. The method fits well in the concept of lead-oriented synthesis; in particular, it can be used for the design of lead-like Compound libraries, even if the strictest cut-offs are applied to the physicochemical properties of their members.
• A Low Pressure Process for the Reduction of Nitriles. Use of Rhodium Catalyst¹
  作者：Morris Freifelder

  DOI：10.1021/ja01494a067

  日期：1960.5