<(3-Bromo-4,6-dimethylphenyl)bis(4-tert-butylphenyl)methoxy>methane | 151160-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: <(3-Bromo-4,6-dimethylphenyl)bis(4-tert-butylphenyl)methoxy>methane
• 英文别名: [(3-Bromo-4,6-dimethylphenyl)bis(4-tert-butylphenyl)methoxy]methane；1-[Bis(4-tert-butylphenyl)-methoxymethyl]-5-bromo-2,4-dimethylbenzene
• CAS: 151160-12-2
• 化学式: C₃₀H₃₇BrO
• 分子量: 493.527
• InChiKey: NNZVPCBXMIKDBL-UHFFFAOYSA-N

物化性质

• 沸点：
  516.5±45.0 °C(predicted)
• 密度：
  1.127±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  <(3-Bromo-4,6-dimethylphenyl)bis(4-tert-butylphenyl)methoxy>methane 在 叔丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 正戊烷 为溶剂， 反应 1.0h， 生成 1-[Bis[5-[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylphenyl]-methoxymethyl]-5-bromo-2,4-dimethylbenzene
  参考文献：
  名称：

  Synthesis of Sterically Hindered 1,3-Connected Polyarylmethanes

  摘要：

  Sterically hindered 1,3-connected polyarylmethanes were prepared by repetitive additions of aryllithiums to carbonyl compounds. Synthetic routes with various degree of convergence were used. Variable temperature NMR spectroscopy, in conjunction with other techniques, was used to characterize the products.

  DOI：

  10.1021/jo00102a041
• 作为产物：
  描述：

  二(4-叔丁基苯基)甲酮 在 正丁基锂 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 0.58h， 生成 <(3-Bromo-4,6-dimethylphenyl)bis(4-tert-butylphenyl)methoxy>methane
  参考文献：
  名称：

  Synthesis of Sterically Hindered 1,3-Connected Polyarylmethanes

  摘要：

  Sterically hindered 1,3-connected polyarylmethanes were prepared by repetitive additions of aryllithiums to carbonyl compounds. Synthetic routes with various degree of convergence were used. Variable temperature NMR spectroscopy, in conjunction with other techniques, was used to characterize the products.

  DOI：

  10.1021/jo00102a041

文献信息

• Near-degeneracy between the low- and high-spin states in an alternant hydrocarbon diradical: topology and geometry
  作者：Andrzej Rajca、Suchada Utamapanya、Donald J. Smithhisler

  DOI：10.1021/jo00073a024

  日期：1993.10

  Treatment of polyarylmethyl diethers with lithium metal in THF gave the corresponding carbodianions; subsequent oxidation with iodine at 180 K produced diradicals, which were studied in frozen THF solutions by SQUID magnetometry in the 2-100 K temperature and 0-5.5 T magnetic field ranges. Magnetization dependence on both the temperature and magnetic field was compared to the model based upon the Heisenberg Hamiltonian plus mean field. Small intramolecular magnetic interactions were found; both diradicals are triplet ground states.