4,4'-dimethyl-2,2',6,6'-tetranitro-1,1'-biphenyl | 23938-87-6

• 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: 4,4'-dimethyl-2,2',6,6'-tetranitro-1,1'-biphenyl
• 英文别名: 4,4'-Dimethyl-2,6,2',6'-tetranitro-1,1'-biphenyl；4,4'-Dimethyl-2,2',6,6'-tetranitro-biphenyl；4,4'-Dimethyl-2,2',6,6'-tetranitrobiphenyl；5-methyl-2-(4-methyl-2,6-dinitrophenyl)-1,3-dinitrobenzene
• CAS: 23938-87-6
• 化学式: C₁₄H₁₀N₄O₈
• mdl: MFCD18914985
• 分子量: 362.255
• InChiKey: XOBOZUFUZZVVGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  183
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,4'-dimethyl-2,2',6,6'-tetranitro-1,1'-biphenyl 在 盐酸 、 锌 作用下， 以 甲醇 为溶剂， 反应 1.5h， 以89.9%的产率得到4,4'-dimethyl-1,1'-biphenyl-2,2'6,6'-tetraamine
  参考文献：
  名称：

  A Bis(hexadentate) Biphenyl‐Based N ₁₂ Ligand and Its Fe ^II Complexes

  摘要：

  AbstractThe novel biphenyl‐based ligand N,N′,N″,N″′‐tetrakis(2,2′‐bipyridin‐6‐ylmethyl)‐4,4′‐dimethyl‐1,1′‐biphenyl‐2,2′,6,6′‐tetramine (6) with 12 nitrogen donor atoms has been synthesized. Ligand 6 is able to host two metal ions in an octahedral coordination sphere. This was shown by the synthesis of the dinuclear iron(II) complex 5 ([Fe2(6)]4+). Furthermore, the corresponding mononuclear iron(II) complex 4 ([Fe(6)]2+), where one coordination site is free, was obtained. Both FeII complexes show spin‐crossover behaviour, which was shown by 1H NMR spectroscopy and Evans' measurements. A comparison of the two complexes gives evidence of a sterically induced cooperative behaviour in the dinuclear complex 5.

  DOI：

  10.1002/ejic.201201443
• 作为产物：
  描述：

  2,6-二硝基-4-甲基苯酚 在 吡啶 、 铜 、 三氯氧磷 作用下， 以 硝基苯 为溶剂， 生成 4,4'-dimethyl-2,2',6,6'-tetranitro-1,1'-biphenyl
  参考文献：
  名称：

  Castle,R.N. et al., Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 533 - 538

  摘要：

  DOI：

文献信息

• Castle,R.N. et al., Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 533 - 538
  作者：Castle,R.N. et al.

  DOI：——

  日期：——
• A Bis(hexadentate) Biphenyl‐Based N ₁₂ Ligand and Its Fe ^II Complexes
  作者：Silvio Heider、Holm Petzold、Georg Teucher

  DOI：10.1002/ejic.201201443

  日期：2013.5

  AbstractThe novel biphenyl‐based ligand N,N′,N″,N″′‐tetrakis(2,2′‐bipyridin‐6‐ylmethyl)‐4,4′‐dimethyl‐1,1′‐biphenyl‐2,2′,6,6′‐tetramine (6) with 12 nitrogen donor atoms has been synthesized. Ligand 6 is able to host two metal ions in an octahedral coordination sphere. This was shown by the synthesis of the dinuclear iron(II) complex 5 ([Fe2(6)]4+). Furthermore, the corresponding mononuclear iron(II) complex 4 ([Fe(6)]2+), where one coordination site is free, was obtained. Both FeII complexes show spin‐crossover behaviour, which was shown by 1H NMR spectroscopy and Evans' measurements. A comparison of the two complexes gives evidence of a sterically induced cooperative behaviour in the dinuclear complex 5.