4-Methyl-2-(phenylcarbamoyl)pentanoic acid | 1566599-70-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Methyl-2-(phenylcarbamoyl)pentanoic acid
• 英文别名: 4-methyl-2-(phenylcarbamoyl)pentanoic acid
• CAS: 1566599-70-9
• 化学式: C₁₃H₁₇NO₃
• 分子量: 235.283
• InChiKey: USNAKNFQDBPISX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.4
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-Methyl-2-(phenylcarbamoyl)pentanoic acid 在 草酰氯 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Diastereo- and Enantioselective Addition of Anilide-Functionalized Allenoates to N-Acylimines Catalyzed by a Pyridylalanine-Based Peptide

  摘要：

  A selective peptide-catalyzed addition of allenic esters to N-acylimines is reported. Tetrasubstituted allenes were achieved with up to 42:1 diastereomeric ratio and 94:6 enantiomeric ratio (up to 99:1 er after recrystallization of the major diastereomer). An exploration of the role of individual amino acids within the peptide was undertaken. The scope of the reaction was explored and revealed heightened reactivity with thioester-containing allenes. A mechanistic framework that may account for the observed reactivity is also described.

  DOI：

  10.1021/ja412996f
• 作为产物：
  描述：

  Ethyl 4-methyl-2-(phenylcarbamoyl)pentanoate 在 甲醇 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-Methyl-2-(phenylcarbamoyl)pentanoic acid
  参考文献：
  名称：

  NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS

  摘要：

  The present invention discloses compounds of Formula (Ia), and pharmaceutically acceptable salts thereof: which inhibit coronavirus replication activity. The invention further relates to pharmaceutical compositions comprising a compound of Formula (Ia) or a pharmaceutically acceptable salt thereof, and methods of treating or preventing a coronavirus infection in a subject in need thereof, comprising administering to the subject a therapeutically effective amount of a compound of Formula (Ia) or a pharmaceutically acceptable salt thereof.

  公开号：

  US20230159546A1