2,7-双(溴甲基)芘 | 63996-39-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 2,7-双(溴甲基)芘
• 英文名称: 2,7-Bis(brommethyl)pyren
• 英文别名: 2,7-Bis(bromomethyl)pyrene
• CAS: 63996-39-4
• 化学式: C₁₈H₁₂Br₂
• 分子量: 388.101
• InChiKey: UXZLGNWAJDLDBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  2,7-双(溴甲基)芘 在 硫脲 作用下， 生成 2,7-Bis(mercaptmethyl)pyren
  参考文献：
  名称：

  Staab,H.A.; Kirrstetter,R.G.H., Liebigs Annalen der Chemie, 1979, p. 886 - 898

  摘要：

  DOI：
• 作为产物：
  描述：

  5,13-dimethyl[2.2]metacyclophane 在 palladium on activated charcoal N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 生成 2,7-双(溴甲基)芘
  参考文献：
  名称：

  Staab,H.A.; Kirrstetter,R.G.H., Liebigs Annalen der Chemie, 1979, p. 886 - 898

  摘要：

  DOI：

文献信息

• Assembly of [2 + 2] bimetallic macrocyclic complexes from bis(bipyridyl) ligands and metal ions
  作者：Alexander Bilyk、Margaret M. Harding

  DOI：10.1039/dt9940000077

  日期：——

  Two new ligands L1 and L2, in which 6,6'-dimethyl-2,2'-bipyridyl groups are attached at the 6-position to 2,6-naphthalene or 2,7-pyrene via ether bridges, have been synthesised. In the presence of Cu(I), L1 forms equal amounts of two [2 + 2] complexes [Cu2L12][PF6]2, which have been assigned tentatively to helical (1a) and non-helical (1b) forms. With Zn(II), L1 forms two complexes [Zn2L12][CF3SO3]4, tentatively assigned to the helical (3a) and non-helical (3b) forms, in the ratio almost-equal-to 7:4. The relative populations of 3a and 3b are temperature and solvent dependent. Ligand L2 forms equal amounts of helical and non-helical complexes [Cu2L22][PF6]2 2a, 2b with Cu(I). However, in the presence of Zn(II), L2 forms exclusively one complex, which has been assigned as the non-helical species [ZnL22][CF3SO3]4 4b, on the basis of NMR data. In this complex, the pyrene rings are rotating rapidly on the NMR time-scale at 300 K. Molecular modelling suggests that the size and interior of the cavities of these macrocycles are ideal for encapsulation of charged aromatic substrates.
• STAAB H. A.; KIROSTETLER R. G. H., LIEBIGS ANN. CHEM., 1979, NO 6, 886-898
  作者：STAAB H. A.、 KIROSTETLER R. G. H.

  DOI：——

  日期：——
• COMPOSITE MATERIALS COMPRISING MECHANICAL LIGANDS
  申请人：NANOCORE APS

  公开号：US20200354220A1

  公开（公告）日：2020-11-12

  Composite material units (CMU) of the structure (SE1-ML-LinkerL-Ligand2-SE2), are provided, wherein ML is a Mechanical Ligand, LinkerL is a chemical bond or entity that covalently links ML and Ligand2, Ligand2 is a chemical entity that is covalently linked to the structural entity SE2, or forms a mechanical bond with the structural entity SE2, and SE1 and SE2 are structural entities.
• Staab,H.A.; Kirrstetter,R.G.H., Liebigs Annalen der Chemie, 1979, p. 886 - 898
  作者：Staab,H.A.、Kirrstetter,R.G.H.

  DOI：——

  日期：——