methyl (2S,3S)-2-benzamidomethyl-3-hydroxybutanoate | 145588-28-9

• 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: methyl (2S,3S)-2-benzamidomethyl-3-hydroxybutanoate
• 英文别名: (2S,3S)-methyl-2-benzamido-methyl-3-hydroxybutyrate；methyl (2S,3S)-2-(benzamidomethyl)-3-hydroxybutanoate
• CAS: 145588-28-9
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: ATBIFOORFZTUKF-ONGXEEELSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  甲基2-[(苯甲酰基氨基)甲基]-3-氧代丁酸酯 生成 methyl (2S,3S)-2-benzamidomethyl-3-hydroxybutanoate
  参考文献：
  名称：

  Zhang Xiaoyong, Mashima Kazushi, Koyano Kinko, Sayo Noboru, Kumobayashi H+, J. Chem. Soc. Perkin Trans. 1, (1994) N 16, S 2309- 2322

  摘要：

  DOI：

文献信息

• Stereoselective hydrogenation via dynamic kinetic resolution
  作者：R. Noyori、T. Ikeda、T. Ohkuma、M. Widhalm、M. Kitamura、H. Takaya、S. Akutagawa、N. Sayo、T. Saito、T. Taketomi、H. Kumobayashi

  DOI：10.1021/ja00207a038

  日期：1989.12.1

  Stereoselectivite dans l'hydrogenation de cetoesters et d'un aminoester conjugue, catalysee par des complexes du ruthenium

  Stereoselectivite dans l'hydrogenation de cetoesters et d'unaminoester conjugue, catalysee par des complexes du ruthenium
• KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF AZETIDINONE
  申请人：Codexies Inc.

  公开号：US20140057330A1

  公开（公告）日：2014-02-27

  The present disclosure provides engineered ketoreductase enzymes having improved properties as compared to a naturally occurring wild-type ketoreductase enzyme. Also provided are polynucleotides encoding the engineered ketoreductase enzymes, host cells capable of expressing the engineered ketoreductase enzymes, and methods of using the engineered ketoreductase enzymes to synthesize a variety of chiral compounds.

  本公开提供了经过改良的酮还原酶酶，其性质比自然存在的野生型酮还原酶酶更好。还提供了编码改良酮还原酶酶的多核苷酸，能够表达改良酮还原酶酶的宿主细胞，以及使用改良酮还原酶酶合成各种手性化合物的方法。
• Diastereoselective reduction of β-keto carbonyl compounds by cultured plant cells
  作者：Kei Shimoda、Naoji Kubota、Hatsuyuki Hamada、Hiroki Hamada

  DOI：10.1016/j.tetlet.2006.01.005

  日期：2006.3

  The diastereoselective reduction of beta-keto carbonyl compounds such as 2-benzamidomethyl-3-oxobutanoates and 2-methyl-2-(2-propenyl)cyclopentan-1,3-dione by cultured cells of higher plants was investigated. The reduction of the 2-benzamidomethyl-3-oxobutanoates by Parthenocissus tricitspidata diastercoselectively produced the (2R,3S)-2-benzamidomethyl-3-hydroxybutanoates, whereas the reduction by Gossypium hirsultum gave the (2S,3S)-2-benzimidoinethyl-3-hydroxybutanoates. The (2R,3S)l (2S,3S) predominance in the reduction with Nicotiana tabacum, Glycine max, and Catharan thus roseus was reversed by the change in the structure of the alkoxyl group in the substrate. On the other hand, the reduction of 2-methyl-2-(2-propenyl)cyclopelitan-1,3-dione by P. tricuspidata produced (2R,3S)-3-hydroxy-2-methyl-2-(2-propenyl)cyclopent in-1-one, whereas the reaction by N. tabacum, G. max, C roseus' and G. hirsuatum gave (2S,3S)-3-hydroxy-2-methyl-2-(2-propenyl)cyclopentan-1-one. (c) 2006 Elsevier Ltd. All rights reserved.
• Zhang, Xiaoyong; Mashima, Kazushi; Koyano, Kinko, Journal of the Chemical Society. Perkin transactions I, 1994, # 16, p. 2309 - 2322
  作者：Zhang, Xiaoyong、Mashima, Kazushi、Koyano, Kinko、Sayo, Noboru、Kumobayashi, Hidenori、et al.

  DOI：——

  日期：——
• Zhang Xiaoyong, Mashima Kazushi, Koyano Kinko, Sayo Noboru, Kumobayashi H+, J. Chem. Soc. Perkin Trans. 1, (1994) N 16, S 2309- 2322
  作者：Zhang Xiaoyong, Mashima Kazushi, Koyano Kinko, Sayo Noboru, Kumobayashi H+

  DOI：——

  日期：——