丁酸,3-(丁基氨基)-,甲基酯 | 14553-88-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 丁酸,3-(丁基氨基)-,甲基酯
• 英文名称: methyl 3-(butylamino)-3-methylpropanoate
• 英文别名: N-<(β-Methoxycarbonyl-α-methyl)-aethyl>-butyl-amin；methyl 3-(butylamino)-butanoate；methyl 3-(n-butylamino)butanoate；Methyl 3-(butylamino)butanoate
• CAS: 14553-88-9
• 化学式: C₉H₁₉NO₂
• 分子量: 173.255
• InChiKey: SIKJYUFAUWNVAR-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  229.9±23.0 °C(Predicted)
• 密度：
  0.912±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Methyl 3-(butylamino)-2-butenoate 在 四氟硼酸-二乙醚络合物 、 [dichloro(p-cymene)(triphenylphosphane)ruthenium(II)] 、 氢气 作用下， 以 四氢呋喃 为溶剂， 50.0 ℃ 、1.0 MPa 条件下， 反应 16.0h， 以95%的产率得到丁酸,3-(丁基氨基)-,甲基酯
  参考文献：
  名称：

  Hydrogenation of β-N-substituted enaminoesters in the presence of ruthenium catalysts

  摘要：

  beta-Aminoesters were prepared in two simple steps from beta-ketoesters derivatives and primary amines under mild conditions. Their hydrogenation was performed at 50 degrees C in the presence of several organometallic catalysts under acidic conditions. The new beta-N-substituted aminoesters were isolated in moderate to good yields. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.008

文献信息

• Aza-Michael Mono-addition Using Acidic Alumina under Solventless Conditions
  作者：Giovanna Bosica、Roderick Abdilla

  DOI：10.3390/molecules21060815

  日期：——

  Aza-Michael reactions between primary aliphatic and aromatic amines and various Michael acceptors have been performed under environmentally-friendly solventless conditions using acidic alumina as a heterogeneous catalyst to selectively obtain the corresponding mono-adducts in high yields. Ethyl acrylate was the main acceptor used, although others such as acrylonitrile, methyl acrylate and acrylamide

  脂肪族和芳香族伯胺与各种迈克尔受体之间的 Aza-Michael 反应在环境友好的无溶剂条件下使用酸性氧化铝作为非均相催化剂进行，以高产率选择性地获得相应的单加合物。丙烯酸乙酯是主要使用的受体，但其他如丙烯腈、丙烯酸甲酯和丙烯酰胺也被成功利用。双官能胺也以良好到极好的产率得到单加合物。此类化合物可作为合成抗癌和抗生素药物的中间体。
• Hydrogenation of β-N-Substituted and β-N,N-Disubstituted Enamino Esters in the Presence of Iridium(I) Catalyst
  作者：Christian Bruneau、Jean-Luc Renaud、Hania Hebbache、Zakia Hank

  DOI：10.1055/s-0029-1217405

  日期：2009.8

  Several new β-amino esters were prepared in two simple steps from β-keto ester derivatives and primary and secondary amines under mild conditions. The hydrogenation of various enamino esters was performed at 50 ˚C in the presence of iridium catalysts. The new β-N-substituted amino esters were isolated in high yields.

  在温和的条件下，通过两个简单步骤，从δ-酮酯衍生物和伯胺、仲胺制备出了几种新的δ-氨基酯。在铱催化剂的作用下，各种烯氨基酯在 50 ˚C 下进行氢化反应。高产率地分离出了新的δ-N-取代氨基酯。
• Method for producing an optically activ beta-amino acid
  申请人：——

  公开号：US20040023344A1

  公开（公告）日：2004-02-05

  The Problem to Be Solved: To provide a producing method of an optically active &bgr;-amino acid useful as intermediate for the production of medicines, agricultural chemicals and physiologically active substances, by means of a catalytic and asymmetric synthesis method of high performance and a high enantiomeric excess, without requiring additional procedures such as introduction and removal of protecting group and so on. Means to Solve the Problems: A producing method of an optically active &bgr;-amino acids which comprises subjecting an enamine to an asymmetric hydrogenation.

  需要解决的问题：提供一种光学活性的β-氨基酸生产方法，作为制药、农药和生理活性物质的中间体，通过高性能和高对映体过量的催化不对称合成方法，而不需要额外的保护基引入和去除等程序。 解决问题的方法：一种生产光学活性β-氨基酸的方法，包括将恩酰胺进行不对称氢化。
• Method for producing an optically active β-amino acid
  申请人：Takasago International Corporation

  公开号：US07893296B2

  公开（公告）日：2011-02-22

  Disclosed is a producing method of an optically active β-amino acid useful as intermediate for the production of medicines, agricultural. chemicals and physiologically active substances, by means of a catalytic and asymmetric synthesis method of high performance and a high enantiomeric excess, without requiring additional procedures such as introduction and removal of protecting group and so on. The method includes subjecting an enamine to an asymmetric hydrogenation.

  本发明公开了一种制备光学活性β-氨基酸的方法，该方法可用作制药、农业化学品和生理活性物质的中间体。该方法采用高效的催化不对称合成方法和高对映体选择性，无需进行保护基引入和去除等额外步骤。该方法包括将恩酰亚胺经过不对称氢化反应。
• Method for producing an optically active beta-amino acid
  申请人：Takasago International Corporation

  公开号：EP1386901B1

  公开（公告）日：2015-07-01