(S,S)-1,4-bis-([2,2']-bithiophen-5-yl)-2,5-bis-(6-(2-tert-butoxycarbonylamino-3-phenylpropanoyloxy)hexyloxy)benzene | 1029398-62-6

• 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: (S,S)-1,4-bis-([2,2']-bithiophen-5-yl)-2,5-bis-(6-(2-tert-butoxycarbonylamino-3-phenylpropanoyloxy)hexyloxy)benzene
• 英文别名: (2S)-2-tert-butoxycarbonylamino-3-phenylpropionic acid 6-{2,5-bis-[2,2']bithiophen-5-yl-4-[6-((2S)-2-tert-butoxycarbonylamino-3-phenylpropionyloxy)hexyloxy]phenoxy}hexyl ester；6-[4-[6-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxyhexoxy]-2,5-bis(5-thiophen-2-ylthiophen-2-yl)phenoxy]hexyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
• CAS: 1029398-62-6
• 化学式: C₆₂H₇₂N₂O₁₀S₄
• 分子量: 1133.53
• InChiKey: PJJUEXAUHUIHCG-CRKOEVGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  78
• 可旋转键数：
  34
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  261
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (S,S)-1,4-diiodo-2,5-bis-(6-(2-tert-butoxycarbonylamino-3-phenylpropanoyloxy)hexyloxy)benzene 、 2,2'-联噻吩-5-硼酸频哪醇酯 在 四(三苯基膦)钯 、 sodium carbonate 、 silver(l) oxide 作用下， 以 1,4-二氧六环 为溶剂， 以60%的产率得到(S,S)-1,4-bis-([2,2']-bithiophen-5-yl)-2,5-bis-(6-(2-tert-butoxycarbonylamino-3-phenylpropanoyloxy)hexyloxy)benzene
  参考文献：
  名称：

  Synthesis of d-glucose and l-phenylalanine substituted phenylene–thiophene oligomers

  摘要：

  Phenylene-thiophene oligomers bearing peracetylated beta-D-glucose or N-BOC-L-phenylalanine as chiral substituents were synthesized in good yields by a versatile protocol based on the Suzuki-Miyaura cross-coupling reaction. Aryl iodides bearing the chiral biomolecules as substituents efficiently reacted with pinacol boronates of bi- or terthiophenes leading to the bio-functionalized oligomers in good yields. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.004

文献信息

• WO2008/96239
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis of d-glucose and l-phenylalanine substituted phenylene–thiophene oligomers
  作者：Omar Hassan Omar、Francesco Babudri、Gianluca M. Farinola、Francesco Naso、Alessandra Operamolla、Adriana Pedone

  DOI：10.1016/j.tet.2010.11.004

  日期：2011.1

  Phenylene-thiophene oligomers bearing peracetylated beta-D-glucose or N-BOC-L-phenylalanine as chiral substituents were synthesized in good yields by a versatile protocol based on the Suzuki-Miyaura cross-coupling reaction. Aryl iodides bearing the chiral biomolecules as substituents efficiently reacted with pinacol boronates of bi- or terthiophenes leading to the bio-functionalized oligomers in good yields. (C) 2010 Elsevier Ltd. All rights reserved.