3,3',5,5'-Tetrakis(mercaptomethyl)biphenyl | 42837-53-6

• 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: 3,3',5,5'-Tetrakis(mercaptomethyl)biphenyl
• 英文别名: 3,3',5,5'-Tetrabis-(mercaptomethyl)-biphenyl；3,3',5,5'-Tetrakis(mercap-tomethyl)biphenyl；[3-[3,5-bis(sulfanylmethyl)phenyl]-5-(sulfanylmethyl)phenyl]methanethiol
• CAS: 42837-53-6
• 化学式: C₁₆H₁₈S₄
• 分子量: 338.583
• InChiKey: ITFXNVREWKZVQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  4
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,3',5,5'-Tetrakis(mercaptomethyl)biphenyl 在 sodium hydroxide 、 双氧水 作用下， 以 乙醇 、 水 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 22.0h， 生成 6,30-Di-tert-butyl-2,11,26,35-tetrathia<3.3>(2,6)benzeno(3,5)biphenylo<3.3>(3',5')(2,6)benzenophan-9,33-dicarbonsaeure-di-tert-butylester-2,2,11,11,26,26,35,35-octaoxid
  参考文献：
  名称：

  Guether, Ralf; Nieger, Martin; Rissanen, Kari, Chemische Berichte, 1994, vol. 127, # 4, p. 743 - 758

  摘要：

  DOI：

文献信息

• From four-fold functionalised [3.3]cyclophanes to belt-shaped and multibridged molecules
  作者：Stefan Breidenbach、Jörg Harren、Susanne Neumann、Martin Nieger、Kari Rissanen、Fritz Vögtle

  DOI：10.1039/p19960002061

  日期：——

  Reaction of the four-fold functionalised cyclophane 7 with tetrafunctionalised aromatic building blocks such as 9 and 10 afforded the new belt-shaped molecules 3 and 4, respectively, The new four-fold bridged cyclophane 8 was synthesised by cyclisation of 7 with tosylamide monosodium salt, The macropolycycle 5, the structure of which has been confirmed by single crystal X-ray analysis, was obtained by cyclisation of the first tetrafunctionalised biphenylophane 15 with the tetrathiol 16, The constitution and conformation of compounds 3, 5 and 8 were examined by VT-NMR studies and HH-NOE experiments, Crystallisation of 8 from two different solvents leads to guest-dependent conformational changes revealed by X-ray analysis, The results described demonstrate that molecular belts and tubes of different type and size are accessible by varying the building blocks within our synthetic strategy.
• Josten, Wolfgang; Karbach, Detlef; Nieger, Martin, Chemische Berichte, 1994, vol. 127, # 4, p. 767 - 778
  作者：Josten, Wolfgang、Karbach, Detlef、Nieger, Martin、Voegtle, Fritz、Haegele, Klaus、et al.

  DOI：——

  日期：——
• Yamamoto, Koji; Saitho, Yasuhiro; Iwaki, Daisuke, Angewandte Chemie, 1991, vol. 103, # 9, p. 1202 - 1203
  作者：Yamamoto, Koji、Saitho, Yasuhiro、Iwaki, Daisuke、Ooka, Takayuki

  DOI：——

  日期：——