(R)-ethyl 3-amino-3-(pyridin-2-yl)propanoate | 1213384-38-3

• 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: (R)-ethyl 3-amino-3-(pyridin-2-yl)propanoate
• 英文别名: ethyl (R)-3-amino-3-(2-pyridyl)propanoate；ethyl (3R)-3-amino-3-pyridin-2-ylpropanoate
• CAS: 1213384-38-3
• 化学式: C₁₀H₁₄N₂O₂
• 分子量: 194.233
• InChiKey: USADZNHVKXZURN-MRVPVSSYSA-N

物化性质

• 沸点：
  310.6±32.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-ethyl 3-amino-3-(pyridin-2-yl)propanoate 在 盐酸 、 水 作用下， 反应 5.0h， 以262 mg的产率得到(R)-3-amino-3-(2-pyridyl)propanoic acid hydrochloride
  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：

  皮考林乙酸乙酯 在 磷酸吡哆醛 、 MetAlaPheSerAlaAspThrProGluIleValTyrThrHisAspThrGlyLeuAspTyrIlyThrTyrSerAspTyrGluLeuAspProAlaAsnProLeuAlaGlyGlyAlaAlaTrpIleGluGlyAlaPheValProProSerGluAlaArgIleSerIlePheAspGlnGlyPheTyrThrSerAspAlaThrTyrThrThrPheHisValTrpAsnGlyAsnAlaPheArgLeuGlyAspHisIleGluArgLeuPheSerAsnAlaGluSerIleArgLeuIleProProLeuThrGlnAspGluValLysGluIleAlaLeuGluLeuValAlaLysThrGluLeuArgGluAlaIleValHisValSerIleThrArgGlyTyrSerSerThrProPheGluArgAspIleLysHisArgProGlnValTyrMetTyrAlaValProTyrGlnTrpIleValProPheAspArgIleArgAspGlyValHisAlaMetValAlaGlnSerValArgArgSerProArgSerSerIleAspProGlnValLysAsnPheGlnTrpGlyAspLeuIleArgAlaIleGlnGluThrHisAspArgGlyPheGluLeuProLeuLeuLeuAspCysAspGlyLeuLeuAlaGluGlyProGlyPheAsnValValValIleLysAspGlyValValArgSerProGlyArgAlaAlaLeuProGlyIleThrArgLysThrValLeuGluIleAlaGluSerLeuGlyHisGluAlaIleLeuAlaAspIleThrProAlaGluLeuTyrAspAlaAspGluValLeuGlyCysSerThrGlyGlyGlyValTrpProPheValSerValAspGlyAsnSerIleSerAspGlyValProGlyProValThrGlnSerIleIleArgArgTyrTrpGluLeuAsnValGluProSerSerLeuLeuThrProValGlnTyr 、 异丙基氨盐酸盐 、 potassium hydroxide 作用下， 以 二甲基亚砜 为溶剂， 反应 18.33h， 以75%的产率得到(R)-ethyl 3-amino-3-(pyridin-2-yl)propanoate
  参考文献：
  名称：

  Transaminase reactions

  摘要：

  本公开涉及使用转氨酶多肽在合成手性胺类化合物中从原性酮中合成手性胺的方法。

  公开号：

  US10138503B2

文献信息

• TRANSAMINASE REACTIONS
  申请人：Codexis, Inc.

  公开号：EP2446026A1

  公开（公告）日：2012-05-02
• EP2446026B1
  申请人：——

  公开号：EP2446026B1

  公开（公告）日：2017-08-09
• Transaminase Reactions
  申请人：Hughes Gregory

  公开号：US20120190085A1

  公开（公告）日：2012-07-26

  The present disclosure relates to methods of using transaminase polypeptides in the synthesis of chiral amines from prochiral ketones.
• ENGINEERED TRANSAMINASE POLYPEPTIDES AND USES THEREOF
  申请人：Enzymaster (Ningbo) Bio-Engineering Co., Ltd

  公开号：US20200332321A1

  公开（公告）日：2020-10-22

  Provided are amino acid sequences of engineered transaminase polynucleotide that are useful for asymmetrically synthesizing chiral amine compounds, and its preparation process and reaction process under industrial-relevant conditions. Also provided are polynucleotide sequences encoding engineered transaminase polypeptides, engineered host cells capable of expressing engineered transaminase polypeptides, and methods of producing chiral amine compounds using engineered transaminase polypeptides. Compared to other enzymes, the engineered transaminase polypeptides provided by this invention have better catalytic activity and stability, and are not inhibited by chiral amine products in the synthesis process. The use of the engineered polypeptides of the present invention for the preparation of chiral amine compound results in higher unit activity, and has good industrial application prospects.
• US8921079B2
  申请人：——

  公开号：US8921079B2

  公开（公告）日：2014-12-30