(1S)-1-carboxy-2-(5,7-dihydoxy-2-oxo-2H-chromen-4-yl)ethyl ammonium trifluoroacetate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: (1S)-1-carboxy-2-(5,7-dihydoxy-2-oxo-2H-chromen-4-yl)ethyl ammonium trifluoroacetate
• 英文别名: (1S)-1-carboxy-2-(5,7-dihydroxy-2-oxo-2H-chromen-4-yl)-ethyl ammonium trifluoroacetate；[(1S)-1-carboxy-2-(5,7-dihydroxy-2-oxochromen-4-yl)ethyl]azanium;2,2,2-trifluoroacetate
• 化学式: C₂HF₃O₂*C₁₂H₁₁NO₆
• 分子量: 379.246
• InChiKey: XMXOWKPUIOEQHH-FJXQXJEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  167
• 氢给体数：
  5
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  N-苄氧羰基-L-天冬氨酸 1-苄酯 在 palladium on activated charcoal 盐酸 、 甲烷磺酸 、 氢气 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 为溶剂， 反应 2.0h， 生成 (1S)-1-carboxy-2-(5,7-dihydoxy-2-oxo-2H-chromen-4-yl)ethyl ammonium trifluoroacetate
  参考文献：
  名称：

  对映体纯的带有香豆素的荧光氨基酸的非常短的途径。

  摘要：

  DOI：

  10.1002/anie.200454116

文献信息

• A method for manufacturing optically active coumaryl amino acid salts and the coumaryl aminoacid salts thus obtained
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP1559712A1

  公开（公告）日：2005-08-03

  The present invention relates to the field of the synthesis of optically active amino acids, mainly for the purpose of manufacturing optically active polypeptides that are useful as labelled detection tools. The manufacturing method involves the preparation of optically active coumaryl amino acid salts of formula (I).

  本发明涉及光学活性氨基酸合成领域，主要用于制造作为标记检测工具有用的光学活性多肽。该制造方法涉及制备式(I)的光学活性香豆素氨基酸盐。
• Method for manufacturing optically pure coumaryl amino acids and the novel coumaryl aminoacids thus obtained
  申请人：Garbay Christiane

  公开号：US20070161807A1

  公开（公告）日：2007-07-12

  The present invention relates to the field of the synthesis of optically pure amino acid derivatives, mainly for the purpose of manufacturing optically active polypeptides that are useful as labelled detection tools.

  本发明涉及合成光学纯氨基酸衍生物的领域，主要用于制造作为标记检测工具有用的光学活性多肽。
• A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACID SALTS AND THE COUMARYL AMINO ACID SALTS THUS OBTAINED
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM)

  公开号：EP1711483A2

  公开（公告）日：2006-10-18
• [EN] A METHOD FOR MANUFACTURING OPTICALLY PURE COUMARYL AMINO ACIDS AND THE NOVEL COUMARYL AMINOACIDS THUS OBTAINED<br/>[FR] PROCEDE DE FABRICATION D'ACIDES AMINES DE COUMARYLE OPTIQUEMENT PURS ET NOUVEAUX ACIDES AMINES DE COUMARYLE AINSI OBTENUS
  申请人：INST NAT RECH MEDICALE INSERM

  公开号：WO2005075448A2

  公开（公告）日：2005-08-18

  The present invention relates to the field of the synthesis of optically pure amino acid derivatives, mainly for the purpose of manufacturing optically active polypeptides that are useful as labeled detection tools.
• A Very Short Route to Enantiomerically Pure Coumarin-Bearing Fluorescent Amino Acids
  作者：Marie-Priscille Brun、Laurent Bischoff、Christiane Garbay

  DOI：10.1002/anie.200454116

  日期：2004.6.28