5-bromo-5'''-[(S)-2-methylbutyl]-2,4,4',6',4'',6'',2''',4'''-octamethoxy-1,1':3',1'':3'',1'''-quaterphenyl | 896507-41-8

• 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: 5-bromo-5'''-[(S)-2-methylbutyl]-2,4,4',6',4'',6'',2''',4'''-octamethoxy-1,1':3',1'':3'',1'''-quaterphenyl
• CAS: 896507-41-8
• 化学式: C₃₇H₄₃BrO₈
• 分子量: 695.648
• InChiKey: HTTNDMUKLAITRG-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.11
• 重原子数：
  46.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  73.84
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  5-bromo-5'''-[(S)-2-methylbutyl]-2,4,4',6',4'',6'',2''',4'''-octamethoxy-1,1':3',1'':3'',1'''-quaterphenyl 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 potassium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 48.0h， 生成 5-[(S)-2-methylbutyl]-2,4,4',6',4'',6'',4''',6''',4'''',6'''',4''''',6''''',2'''''',4''''''-tetradecamethoxy-1,1':3',1'':3'',1''':3''',1'''':3'''',1''''':3''''',1''''''-septiphenyl
  参考文献：
  名称：

  Oligoresorcinols Fold into Double Helices in Water

  摘要：

  We report the first double helices with a controlled helicity in water based on oligoresorcinols as a new, simplest water-soluble structural motif. The molecular strands of the oligoresorcinols self-assemble into double helices with the aid of aromatic interactions in water as characterized by 1H NMR and absorption spectroscopies together with the X-ray crystallographic study of the pentamer. The double helix formation is sensitive to the chain length, solvent composition, and temperature. Moreover, a bias in the screw sense of the double helices was achieved by covalently attaching chiral substituents to both ends of the molecular strands.

  DOI：

  10.1021/ja062171v
• 作为产物：
  描述：

  5-bromo-2,4,4',6',2'',4''-hexamethoxy-1,1':3',1''-terphenyl 在 四(三苯基膦)钯 1,3-二溴-5,5-二甲基海因 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 48.0h， 生成 5-bromo-5'''-[(S)-2-methylbutyl]-2,4,4',6',4'',6'',2''',4'''-octamethoxy-1,1':3',1'':3'',1'''-quaterphenyl
  参考文献：
  名称：

  Oligoresorcinols Fold into Double Helices in Water

  摘要：

  We report the first double helices with a controlled helicity in water based on oligoresorcinols as a new, simplest water-soluble structural motif. The molecular strands of the oligoresorcinols self-assemble into double helices with the aid of aromatic interactions in water as characterized by 1H NMR and absorption spectroscopies together with the X-ray crystallographic study of the pentamer. The double helix formation is sensitive to the chain length, solvent composition, and temperature. Moreover, a bias in the screw sense of the double helices was achieved by covalently attaching chiral substituents to both ends of the molecular strands.

  DOI：

  10.1021/ja062171v

文献信息

• Goto, Hidetoshi; Furusho, Yoshio; Miwa, Kazuhiro, Journal of the American Chemical Society, 2009, vol. 131, p. 4710 - 4719
  作者：Goto, Hidetoshi、Furusho, Yoshio、Miwa, Kazuhiro、Yashima, Eiji

  DOI：——

  日期：——