(S)-ethyl N-phenylacetyl-phenylalaninate | 67035-46-5

• 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
• 英文名称: (S)-ethyl N-phenylacetyl-phenylalaninate
• 英文别名: N-phenylacetyl-β-phenyl-alanine ethyl ester；ethyl (2S)-3-phenyl-2-[(2-phenylacetyl)amino]propanoate
• CAS: 67035-46-5
• 化学式: C₁₉H₂₁NO₃
• 分子量: 311.381
• InChiKey: QLDGTTKXSVVYFB-KRWDZBQOSA-N

物化性质

• 沸点：
  504.9±45.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-ethyl N-phenylacetyl-phenylalaninate 生成 2,4-Dibenzyl-5-aethoxyoxazol
  参考文献：
  名称：

  Pyridin-3-ols

  摘要：

  新的吡啶-3-醇及其N-氧化物和酸盐加成物，可作为中间体使用，特别适用于制备药理活性化合物，以及它们的制备。

  公开号：

  US04168379A1
• 作为产物：
  描述：

  苯乙酸 、 (2S)-2-氨基-3-苯丙酸乙酯 在 (1-methyl-3-(3-sulfopropyl)-1H-imidazol-3-ium)₃[PW₁₂O₄₀^3-] 作用下， 以 neat (no solvent) 为溶剂， 反应 0.12h， 以35%的产率得到
  参考文献：
  名称：

  An eco-benign and highly efficient procedure for N-acylation catalyzed by heteropolyanion-based ionic liquids using carboxylic acid under solvent-free conditions

  摘要：

  An eco-benign and highly efficient route for N-acylation of amines has been developed by treating amines with corresponding carboxylic acids in the presence of 2 mol % of heteropolyanion-based ionic liquids as catalysts under solvent-free conditions. This practical reaction could tolerate a wide range of substrates. Thus, various N-acylation products including N-acyl alpha-amino acid derivatives were obtained in moderate to excellent yields at 70 degrees C to 120 degrees C. Moreover, recycling studies revealed that heteropolyanion-based ionic liquids were easily reusable for this N-acylation. This method provides a green and much improved protocol over the existing methods.(c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.02.042

文献信息

• US4096324A
  申请人：——

  公开号：US4096324A

  公开（公告）日：1978-06-20
• US4138485A
  申请人：——

  公开号：US4138485A

  公开（公告）日：1979-02-06
• US4145414A
  申请人：——

  公开号：US4145414A

  公开（公告）日：1979-03-20
• US4168379A
  申请人：——

  公开号：US4168379A

  公开（公告）日：1979-09-18
• An eco-benign and highly efficient procedure for N-acylation catalyzed by heteropolyanion-based ionic liquids using carboxylic acid under solvent-free conditions
  作者：Zhikai Chen、Renzhong Fu、Wen Chai、Hao Zheng、Lin Sun、Qiang Lu、Rongxin Yuan

  DOI：10.1016/j.tet.2014.02.042

  日期：2014.4

  An eco-benign and highly efficient route for N-acylation of amines has been developed by treating amines with corresponding carboxylic acids in the presence of 2 mol % of heteropolyanion-based ionic liquids as catalysts under solvent-free conditions. This practical reaction could tolerate a wide range of substrates. Thus, various N-acylation products including N-acyl alpha-amino acid derivatives were obtained in moderate to excellent yields at 70 degrees C to 120 degrees C. Moreover, recycling studies revealed that heteropolyanion-based ionic liquids were easily reusable for this N-acylation. This method provides a green and much improved protocol over the existing methods.(c) 2014 Elsevier Ltd. All rights reserved.