ethyl 3-amino-3-(3-furyl)propanoate | 163919-12-8

• 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: ethyl 3-amino-3-(3-furyl)propanoate
• 英文别名: ethyl β-aminofuran-3-propanoate；Ethyl beta-aminofuran-3-propanoate；ethyl 3-amino-3-(furan-3-yl)propanoate
• CAS: 163919-12-8
• 化学式: C₉H₁₃NO₃
• 分子量: 183.207
• InChiKey: GPICNQGICXGSGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  272.9±30.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-amino-3-(3-furyl)propanoate 在 水 作用下， 以 异丙醚 为溶剂， 反应 47.0h， 生成 (S)-3-amino-3-(3-furyl)propanoic acid 、 ethyl (R)-3-amino-3-(3-furyl)propanoate
  参考文献：
  名称：

  Burkholderia cepacia lipase is an excellent enzyme for the enantioselective hydrolysis of β-heteroaryl-β-amino esters

  摘要：

  The enantioselective (E > 200) lipase PS-catalysed hydrolysis of beta-heteroaryl-beta-amino esters is described. The reactions were performed with H2O (0.5 equiv) in either diisopropyl ether or tert-butyl methyl ether at 25 degrees C. The resulting beta-heteroaryl-substituted beta-amino acid enantiomers were formed in high enantiomeric excess (ee >= 97%) and in good yield (>= 40%). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.019
• 作为产物：
  描述：

  ethyl (+/-)-3-amino-3-(3-furyl)propanoate hydrochloride 在 potassium carbonate 作用下， 以 水 为溶剂， 生成 ethyl 3-amino-3-(3-furyl)propanoate
  参考文献：
  名称：

  Burkholderia cepacia lipase is an excellent enzyme for the enantioselective hydrolysis of β-heteroaryl-β-amino esters

  摘要：

  The enantioselective (E > 200) lipase PS-catalysed hydrolysis of beta-heteroaryl-beta-amino esters is described. The reactions were performed with H2O (0.5 equiv) in either diisopropyl ether or tert-butyl methyl ether at 25 degrees C. The resulting beta-heteroaryl-substituted beta-amino acid enantiomers were formed in high enantiomeric excess (ee >= 97%) and in good yield (>= 40%). (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2009.06.019

文献信息

• Meta-guanidine, urea, thiourea or azacyclic amino benzoic acid compounds
  申请人：G. D. Searle & Co.

  公开号：US06028223A1

  公开（公告）日：2000-02-22

  The present invention relates to a class of compounds represented by the Formula I ##STR1## or a pharmaceutically acceptable salt thereof, wherein A is ##STR2## pharmaceutical compositions thereof and methods of using such compounds and compositions as .alpha..sub.v .beta..sub.3 antagonists.

  本发明涉及一类由公式I表示的化合物 ##STR1## 或其药学上可接受的盐，其中A为 ##STR2## 以及使用这些化合物和组合物作为.alpha..sub.v .beta..sub.3拮抗剂的药物组合物和方法。
• META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS
  申请人：G.D. SEARLE & CO.

  公开号：EP0850221B1

  公开（公告）日：2001-07-18
• Candida antarctica lipase A—a powerful catalyst for the resolution of heteroaromatic β-amino esters
  作者：Magdolna Solymár、Ferenc Fülöp、Liisa T. Kanerva

  DOI：10.1016/s0957-4166(02)00637-7

  日期：2002.10

  Enantioselective acylations of 3-amino-3-beteroarylpropanoates (ArCH(NH2)CH2CO2Et; Ar = 2- or 3-thienyl or -furyl) were performed in the presence of Candida antarctica lipase A. As a result of the excellent chemo- and enantioselectivities (E > 100), gram-scale resolutions were carried out in ethyl butanoate. The hydrochloride salts of the unreacted R substrates and the butanamides of the reactive S enantiomers were thus prepared. (C) 2002 Elsevier Science Ltd. All rights reserved.
• 1-AMIDINOPHENYL-PYRROLIDONES/ PIPERIDINONES AS PLATELET AGGREGATION INHIBITORS
  申请人：G.D. SEARLE & CO.

  公开号：EP0691953B1

  公开（公告）日：2000-08-02
• US5721366A
  申请人：——

  公开号：US5721366A

  公开（公告）日：1998-02-24