4-Methyl-3-(3-methyl-butyl)-2-[(Z)-4-nitro-benzoylimino]-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester | 845524-69-8

• 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-3-(3-methyl-butyl)-2-[(Z)-4-nitro-benzoylimino]-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
• CAS: 845524-69-8
• 化学式: C₁₉H₂₃N₃O₅S
• 分子量: 405.475
• InChiKey: XPKGPYDRVJJRKE-VXPUYCOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.73
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  103.8
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-Methyl-3-(3-methyl-butyl)-2-[(Z)-4-nitro-benzoylimino]-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester 在 palladium on activated charcoal sodium hydroxide 、 WSC*HCl 、 甲酸铵 、 1-羟基苯并三唑 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  2-Acylimino-3-alkyl-3H-thiazoline derivatives: one-pot, three-component condensation synthesis of novel β-turn mimics

  摘要：

  One-pot, three-component condensation of aroylthiourea, primary amine and alpha-halocarbonyl derivatives for the synthesis of 2-acylimino-3-alkyl-3H-thiazoline derivatives is described. This method is useful for simultaneousiv incorporating diverse functional groups at four positions in the 3H-thiazoline skeleton to obtain beta-turn tripeptide mimics. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.105
• 作为产物：
  描述：

  4-硝基苯甲酰氯 、 alkaline earth salt of/the/ methylsulfuric acid 以 丙酮 、 甲苯 为溶剂， 反应 0.58h， 生成 4-Methyl-3-(3-methyl-butyl)-2-[(Z)-4-nitro-benzoylimino]-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  2-Acylimino-3-alkyl-3H-thiazoline derivatives: one-pot, three-component condensation synthesis of novel β-turn mimics

  摘要：

  One-pot, three-component condensation of aroylthiourea, primary amine and alpha-halocarbonyl derivatives for the synthesis of 2-acylimino-3-alkyl-3H-thiazoline derivatives is described. This method is useful for simultaneousiv incorporating diverse functional groups at four positions in the 3H-thiazoline skeleton to obtain beta-turn tripeptide mimics. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.11.105