Ethyl 3-[(furan-2-ylcarbonyl)amino]-3-(4-methylphenyl)propanoate

• 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-[(furan-2-ylcarbonyl)amino]-3-(4-methylphenyl)propanoate
• 英文别名: ethyl 3-(furan-2-carbonylamino)-3-(4-methylphenyl)propanoate
• 化学式: C₁₇H₁₉NO₄
• 分子量: 301.34
• InChiKey: MUKXWNAQZLDEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Processes For Preparing Optically Active (S Or R-)-Beta-Amino Acid And Optically Active (R Or S)-Beta-Amino Acid Ester, And Beta-Amino Acid 2-Alkoxyethyl Ester And Optically Active (S Or R)-Beta Amino Acid 2-Alkoxyethyl Ester
  申请人：Konegawa Tadayoshi

  公开号：US20080038785A1

  公开（公告）日：2008-02-14

  The present invention relates to a process for preparing an optically active (S or R)-β-amino acid represented by the formula (II): wherein R represents an alkyl group, alkenyl group, alkynyl group, cycloalkyl group, aralkyl group, aryl group or heteroaryl group each of which may have a substituent(s), and * represents an asymmetric carbon atom, and an optically active (R or S)-β-amino acid ester represented by the formula (III): wherein R has the same meaning as defined above, R 1 represents an alkyl group which may have a substituent(s), and * represents an asymmetric carbon atom, provided that it has a reverse absolute configuration to that of the compound of the formula (II), which comprises selectively hydrolyzing water and one of enantiomers of a β-amino acid ester represented by the formula (I): wherein R and R 1 have the same meanings as defined above, which is a racemic mixture, in the presence of a hydrolase in an organic solvent.

  本发明涉及一种制备光学活性的(S或R)-β-氨基酸的过程，其表示为公式(II)：其中R表示一种可以具有取代基的烷基、烯基、炔基、环烷基、芳基、芳基烷基或杂环芳基，*表示一个不对称碳原子，以及一种光学活性的(R或S)-β-氨基酸酯，其表示为公式(III)：其中R具有上述定义的相同含义，R1表示一种可以具有取代基的烷基，*表示一个不对称碳原子，前提是它具有与公式(II)化合物相反的绝对构型，其包括在有机溶剂中，在水和公式(I)表示的β-氨基酸酯的对映体之一中选择性水解，其中R和R1具有上述定义的相同含义，它是一个外消旋混合物，存在水解酶。
• PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE (S)- OR (R)- BETA-AMINO ACIDS AND OPTICALLY ACTIVE (R)- OR (S)-BETA -AMINO ACID ESTERS, 2-ALKOXYETHYL ESTERS OF -AMINO ACIDS, AND OPTICALLY ACITVE (S)- OR (R)-2-ALKOXYETHYL ESTERS OF -AMINO ACIDS
  申请人：Ube Industries, Ltd.

  公开号：EP1840218A1

  公开（公告）日：2007-10-03

  The present invention relates to a process for preparing an optically active (S or R)-β-amino acid represented by the formula (II): wherein R represents an alkyl group, alkenyl group, alkynyl group, cycloalkyl group, aralkyl group, aryl group or heteroaryl group each of which may have a substituent(s), and * represents an asymmetric carbon atom, and an optically active (R or S)-β-amino acid ester represented by the formula (III): wherein R has the same meaning as defined above, R1 represents an alkyl group which may have a substituent(s), and * represents an asymmetric carbon atom, provided that it has a reverse absolute configuration to that of the compound of the formula (II), which comprises selectively hydrolyzingwater and one of enantiomers of a β-amino acid ester represented by the formula (I): wherein R and R1 have the same meanings as defined above, which is a racemic mixture, in the presence of a hydrolase in an organic solvent.

  本发明涉及一种制备由式（II）代表的光学活性（S 或 R）-β-氨基酸的工艺： 其中 R 代表烷基、烯基、炔基、环烷基、芳烷基、芳基或杂芳基，每个基团都可带有取代基， * 代表不对称碳原子、 以及由式（III）代表的光学活性（R 或 S）-β-氨基酸酯： 其中 R 的含义与上文所定义的相同，R1 代表烷基，可带有取代基，* 代表不对称碳原子，但其绝对构型与式 (II) 化合物的绝对构型相反、 其中包括选择性地水解水和式（I）所代表的 β-氨基酸酯的对映体之一： 其中 R 和 R1 的含义与上述定义相同、 其中 R 和 R1 的含义与上文所定义的相同。
• Process for production of optically active (S)- or (R)-beta-amino acids and optically active (R)- or (S)-beta -amino acid esters, and optically active (S)- or (R)-2-alkoxyethyl esters of beta-amino acids.
  申请人：Ube Industries, Ltd.

  公开号：EP1840218B1

  公开（公告）日：2011-02-23
• US7915019B2
  申请人：——

  公开号：US7915019B2

  公开（公告）日：2011-03-29