N-{[Allyl-(4-bromo-phenyl)-carbamoyl]-phenyl-methyl}-3-[allyl-(toluene-4-sulfonyl)-amino]-N-[2-(4-bromo-phenyl)-ethyl]-propionamide | 906559-87-3

• 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: N-{[Allyl-(4-bromo-phenyl)-carbamoyl]-phenyl-methyl}-3-[allyl-(toluene-4-sulfonyl)-amino]-N-[2-(4-bromo-phenyl)-ethyl]-propionamide
• CAS: 906559-87-3
• 化学式: C₃₈H₃₉Br₂N₃O₄S
• 分子量: 793.619
• InChiKey: BEWPVNCBLFXMRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.12
• 重原子数：
  48.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  78.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-{[Allyl-(4-bromo-phenyl)-carbamoyl]-phenyl-methyl}-3-[allyl-(toluene-4-sulfonyl)-amino]-N-[2-(4-bromo-phenyl)-ethyl]-propionamide 在 Hoveyda-Grubbs catalyst second generation 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 44.0h， 以85%的产率得到(10Z)-1-(4-bromophenyl)-4-[2-(4-bromophenyl)ethyl]-8-(4-methylphenyl)sulfonyl-3-phenyl-1,4,8-triazacyclododec-10-ene-2,5-dione
  参考文献：
  名称：

  Skeletal Diversity by Ugi Four-Component Coupling Reaction and Post-Ugi Reactions

  摘要：

  Here we report a strategy to alter the skeletal complexity of Ugi four-component coupling reaction products by using allylations followed by ring-closing metathesis. Principal component analysis is also performed for these compounds.

  DOI：

  10.3987/com-07-s(u)8
• 作为产物：
  描述：

  N-{[Allyl-(4-bromo-phenyl)-carbamoyl]-phenyl-methyl}-N-[2-(4-bromo-phenyl)-ethyl]-acrylamide 在 三乙胺 作用下， 以 乙醇 、 1,2-二氯乙烷 为溶剂， 反应 36.5h， 生成 N-{[Allyl-(4-bromo-phenyl)-carbamoyl]-phenyl-methyl}-3-[allyl-(toluene-4-sulfonyl)-amino]-N-[2-(4-bromo-phenyl)-ethyl]-propionamide
  参考文献：
  名称：

  Skeletal diversity by allylation/RCM on Ugi four-component coupling reaction products

  摘要：

  Here, we report a diversity-oriented synthetic approach toward skeletally diverse, cyclized peptidomimetics with diverse appendages. Starting from alpha-(N-acylamino)amides with various appendages, 12 to 16-membered lactams with defined olefin geometry were synthesized by a common synthetic sequence. We also synthesized the macrocycle in a liquid phase directed toward a construction of the peptidomimetics library. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.098