(3,5-dichlorophenyl) N-[(3S,7S,11S)-7,11-bis[(3,5-dichlorophenoxy)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]carbamate | 1083072-43-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (3,5-dichlorophenyl) N-[(3S,7S,11S)-7,11-bis[(3,5-dichlorophenoxy)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]carbamate
• CAS: 1083072-43-8
• 化学式: C₃₀H₂₁Cl₆N₃O₁₂
• 分子量: 828.228
• InChiKey: KPOYAIMNECFFDC-HJOGWXRNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  51
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  194
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,5-Dichlorophenyl chloroformate 、 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到(3,5-dichlorophenyl) N-[(3S,7S,11S)-7,11-bis[(3,5-dichlorophenoxy)carbonylamino]-2,6,10-trioxo-1,5,9-trioxacyclododec-3-yl]carbamate
  参考文献：
  名称：

  Carbamate triserine lactone receptors for anion recognition

  摘要：

  We have taken advantage of the ability of the cyclic triester of L-serine to organize ligand units appended to the three alpha-amine functionalities, as in enterobactin, a siderophore produced by enteric bacteria that binds ferric ion exceptionally well (K-f = 10(49)). As an extension of the preorganization concept, this work describes the preparation and characterization of carbamate triserine lactone receptors 1-6 and their ability to act as molecular receptors for anions. These receptors bind halides (F- >> Cl- > Br- > I-) with binding constants K in the range 21-7350 L mol(-1). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.08.081