2-((S)-1-{[2-((R)-1-tert-Butoxycarbonylamino-2-methyl-propyl)-thiazole-4-carbonyl]-amino}-2-methyl-propyl)-thiazole-4-carboxylic acid ethyl ester | 612817-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-((S)-1-{[2-((R)-1-tert-Butoxycarbonylamino-2-methyl-propyl)-thiazole-4-carbonyl]-amino}-2-methyl-propyl)-thiazole-4-carboxylic acid ethyl ester
• CAS: 612817-14-8
• 化学式: C₂₃H₃₄N₄O₅S₂
• 分子量: 510.679
• InChiKey: KLLGCXMLCJCCNU-DLBZAZTESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.13
• 重原子数：
  34.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  119.51
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-((S)-1-{[2-((R)-1-tert-Butoxycarbonylamino-2-methyl-propyl)-thiazole-4-carbonyl]-amino}-2-methyl-propyl)-thiazole-4-carboxylic acid ethyl ester 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 6.0h， 以91%的产率得到2-((S)-1-{[2-((R)-1-Amino-2-methyl-propyl)-thiazole-4-carbonyl]-amino}-2-methyl-propyl)-thiazole-4-carboxylic acid ethyl ester; hydrochloride
  参考文献：
  名称：

  Concise synthesis of stereodefined, thiazole—containing cyclic hexa- and octapeptide relatives of the Lissoclinums, via cyclooligomerisation reactions

  摘要：

  The synthesis of a range of thiazole containing cyclic peptides using cyclooligomerisation reactions of amino acid substituted thiazole monomers and by macrolactamisation procedures is reported. The synthetic approaches lead to high yields of novel 18- and 24-membered ring analogues of the naturally occurring Lissoclinum families of cyclic peptides found in marine organisms and algae. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00821-4
• 作为产物：
  描述：

  2-<(S)-1--2-methylpropyl>-4-carbethoxythiazole 在 N-甲基吗啉 、 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 21.0h， 生成 2-((S)-1-{[2-((R)-1-tert-Butoxycarbonylamino-2-methyl-propyl)-thiazole-4-carbonyl]-amino}-2-methyl-propyl)-thiazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  Concise synthesis of stereodefined, thiazole—containing cyclic hexa- and octapeptide relatives of the Lissoclinums, via cyclooligomerisation reactions

  摘要：

  The synthesis of a range of thiazole containing cyclic peptides using cyclooligomerisation reactions of amino acid substituted thiazole monomers and by macrolactamisation procedures is reported. The synthetic approaches lead to high yields of novel 18- and 24-membered ring analogues of the naturally occurring Lissoclinum families of cyclic peptides found in marine organisms and algae. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00821-4