3-Butyl-2-[(Z)-4-cyano-benzoylimino]-4-methyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester | 845524-58-5

• 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: 3-Butyl-2-[(Z)-4-cyano-benzoylimino]-4-methyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester
• CAS: 845524-58-5
• 化学式: C₁₉H₂₁N₃O₃S
• 分子量: 371.46
• InChiKey: LBXLZDHVIQAKEZ-VZCXRCSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  84.45
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-Butyl-2-[(Z)-4-cyano-benzoylimino]-4-methyl-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  2-Acylimino-3H-thiazoline derivatives: A novel template for platelet GPIIb/IIIa receptor antagonists

  摘要：

  In the course of our research for the low-molecular weight RGD peptide mimics, we have found that a rigid 2-acylimino-3H-thiazoline structure is suitable for the peptide backbone mimics. Introduction of amidinophenyl and p-alanine moiety as arginine and aspartic acid side-chain surrogates to this backbone mimic resulted in a highly potent fibrinogen receptor antagonist 2-(4-amidinobenzoylimino)-3.4-dimethyl-N-(2-carboxyethyl)-3H-thiazoline-5-carboxamide (7c). namely PS-028 (K-i, = 46.5 +/- 5.5 pM). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00123-8
• 作为产物：
  描述：

  对氰基苯甲酰氯 以 丙酮 、 甲苯 为溶剂， 反应 0.58h， 生成 3-Butyl-2-[(Z)-4-cyano-benzoylimino]-4-methyl-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