2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one | 79338-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one
• 英文别名: 3-(2'-Hydroxy-3'-keto-4'-methylpentyl)-indole
• CAS: 79338-83-3
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: AWOMKVFSCPBMJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异丙基氯化镁 、 2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide 以 四氢呋喃 为溶剂， 生成 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one 、 3-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-2-one
  参考文献：
  名称：

  A concise, total synthesis and antibacterial evaluation of 2-hydroxy-1-(1H-indol-3-yl)-4-methylpentan-3-one

  摘要：

  Treatment of racemic 2-hydroxy-3-(1H-indol-3yl)propionic acid methyl ester (5) with isopropyl magnesium chloride provided the title compound 1 and its isomer, 3-hydroxy-1-(indol-3-yl)-4-methylpentan-2-one (9). Both enantiomers (>96% ee) of each component were obtained via semi-preparative chiral supercritical fluid chromatography (SFC). In contrast to previous reports, these compounds, as well as their acetate derivatives, were not active or very weakly active against 16 bacterial strains, including Escherichia coli, Bacillus subtilis and Staphylococcus aureus. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.003

文献信息

• Processes and host cells for genome, pathway, and biomolecular engineering
  申请人：enEvolv, Inc.

  公开号：US10370654B2

  公开（公告）日：2019-08-06

  The present disclosure provides compositions and methods for genomic engineering.

  本公开提供了基因组工程的组合物和方法。
• PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING
  申请人：enEvolv, Inc.

  公开号：EP3027754A1

  公开（公告）日：2016-06-08
• US9944925B2
  申请人：——

  公开号：US9944925B2

  公开（公告）日：2018-04-17
• [EN] PROCESSES AND HOST CELLS FOR GENOME, PATHWAY, AND BIOMOLECULAR ENGINEERING<br/>[FR] PROCÉDÉS ET CELLULES HÔTES POUR INGÉNIERIE BIOMOLÉCULAIRE, GÉNOMIQUE ET DE LA VOIE
  申请人：ENEVOLV INC

  公开号：WO2015017866A1

  公开（公告）日：2015-02-05

  The present disclosure provides compositions and methods for genomic engineering.