1,6-bis(benzylsulfinyl)hexane

• 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: 1,6-bis(benzylsulfinyl)hexane
• 英文别名: 6-Benzylsulfinylhexylsulfinylmethylbenzene
• 化学式: C₂₀H₂₆O₂S₂
• 分子量: 362.557
• InChiKey: ZQZLEOCJMQILFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate trihydrate 、 1,6-bis(benzylsulfinyl)hexane 以 甲醇 、 乙二醇二乙醚 为溶剂， 以25%的产率得到[Cu2(1,6-bis(benzylsulfinyl)hexane)3(H2O)2(NO3)4]
  参考文献：
  名称：

  Extended chains via hydrogen bond linkages of dinuclear copper(II) and cadmium(II) complexes with a new flexible disulfoxide ligand

  摘要：

  A new flexible disulfoxide ligand 1,6-bis(benzylsulfinyl)hexane (L), which is a mixture of the meso and rac isomers, was treated with Cu-II or Cd-II nitrate and obtained dimeric complex [Cu-2(L)(3)(H2O)(2)(NO3)(4)] 2 or [Cd-2(L)(3)(H2O)(2)(NO3)(4)] 3. In the reacting system the crystals of meso isomer I of L together with 2 or 3 were obtained. 2 and 3 have similar molecular structures. In the neutral dimer, three ligands present two kinds of coordination models: monodentate and bis-monodentate. The neutral dimeric units in 2 and 3 are linked by hydrogen bonds to yield a chain structure. Crystal structures of all three compounds were determined by single-crystal X-ray diffraction methods. Crystal data for 1: monoclinic, space group Cc, a = 41.95(2), b = 5.132(2), c = 8.660(4) Angstrom, beta = 94.898(9)degrees, V = 1857.7(15) Angstrom(3), Z = 4, final refinement (I> 2sigma(I)): R1 = 0.0659, wR2 = 0.1415. Crystal data for 2: triclinic, space group P-1. a = 9.242(4), b = 9.539(4), c = 21.042(9) Angstrom, alpha = 83.888(9), beta = 87.971(8), gamma = 74.177(9)degrees, V = 1774.6(13) Angstrom(3), Z = 2, final refinement (I > 2sigma(I)): R1 = 0.0577, wR2 = 0.0954. Crystal data for 3: triclinic, space group P-1, a = 9.203(4), b = 9.831(3), c = 20.860(7) Angstrom, alpha = 84.313(6), beta = 86.432(7), gamma = 74.188(6)degrees, V = 1805.9(11) Angstrom(3), Z = 2, final refinement (I>2sigma(I)): RI = 0.0548, wR2 = 0.1192. (C) 2003 Elsevier Science (USA). All rights reserved.

  DOI：

  10.1016/s0022-4596(03)00055-0