| 339087-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 339087-01-3
• 化学式: C₄₂H₄₂N₆O₉
• 分子量: 774.83
• InChiKey: KFNMLIQTFIWPTL-ZDCRTTOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.95
• 重原子数：
  57.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  193.08
• 氢给体数：
  3.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  在 palladium dihydroxide 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 48.0h， 以90%的产率得到(4S,11S,18S)-4,11,18-tris(hydroxymethyl)-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
  参考文献：
  名称：

  Improved synthesis of functionalized molecular platforms related to marine cyclopeptides

  摘要：

  We report an improved synthesis of new molecular platforms, functionalized for studies in molecular recognition and combinatorial chemistry. Their structures are related to naturally occurring marine cyclopeptides such as the Dolostatins and Dendroamides that feature side chain functionality positioned on the same face of a rigid platform. Incorporation of methyl substituted oxazole and thiazole rings into the platforms enhances the rigidity of structure and significantly improves the yields of the macrocyclization reaction in the synthesis. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01173-x
• 作为产物：
  描述：

  2-((S)-2-Benzyloxy-1-{[2-((S)-2-benzyloxy-1-{[2-((S)-2-benzyloxy-1-tert-butoxycarbonylamino-ethyl)-5-methyl-oxazole-4-carbonyl]-amino}-ethyl)-5-methyl-oxazole-4-carbonyl]-amino}-ethyl)-5-methyl-oxazole-4-carboxylic acid methyl ester 在 sodium hydroxide 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 116.0h， 生成
  参考文献：
  名称：

  Improved synthesis of functionalized molecular platforms related to marine cyclopeptides

  摘要：

  We report an improved synthesis of new molecular platforms, functionalized for studies in molecular recognition and combinatorial chemistry. Their structures are related to naturally occurring marine cyclopeptides such as the Dolostatins and Dendroamides that feature side chain functionality positioned on the same face of a rigid platform. Incorporation of methyl substituted oxazole and thiazole rings into the platforms enhances the rigidity of structure and significantly improves the yields of the macrocyclization reaction in the synthesis. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)01173-x