biphenyl-3,3'-diylbis(phenyldiazomethane) | 172603-95-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: biphenyl-3,3'-diylbis(phenyldiazomethane)
• 英文别名: 1-[diazo(phenyl)methyl]-3-[3-[diazo(phenyl)methyl]phenyl]benzene
• CAS: 172603-95-1
• 化学式: C₂₆H₁₈N₄
• 分子量: 386.456
• InChiKey: SIIXMGFPFMPQKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.8
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  biphenyl-3,3'-diylbis(phenyldiazomethane) 以 solid matrix 为溶剂， 生成
  参考文献：
  名称：

  Teki, Yoshio; Takui, Takeji; Sato, Kazunobu, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1993, vol. 232, p. 261 - 270

  摘要：

  DOI：
• 作为产物：
  描述：

  3,3'-dibenzoylbiphenyl 在 manganese(IV) oxide 、 氢氧化钾 、 一水合肼 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 51.0h， 生成 biphenyl-3,3'-diylbis(phenyldiazomethane)
  参考文献：
  名称：

  Weak Intramolecular Exchange Interaction between Two Carbenic Units in a Novel Organic High-Spin Ion. ESR Studies on a Monoanion of Biphenyl-3,3'-diylbis(phenylmethylene)

  摘要：

  A monoanion of biphenyl-3,3'-diylbis(phenylmethylene) (BP-3,3'-BPM) with a low-lying quintet and a triplet state near the singlet ground state was generated by gamma-radiolysis followed by a subsequent visible light photolysis in a frozen solution of 2-methyltetrahydrofuran. BP-3,3'-BPM was chosen as a prototypical example whose electronic spin structure is characterized by the possession of an intramolecular weak exchange interaction between two carbenic units. A spin-quartet state was detected for the monoanion of BP-3,3'-BPM at 77 K by ESR spectroscopy. The ground state was determined to be a spin doublet from the measurement of the temperature dependence of the ESR signal intensity of the quartet state. The energy gap between the doublet ground and the quartet excited states was estimated to be about 35 cm(-1). The effective exchange interaction between the two carbenic units of the: monoanion was compared with that of the neutral BP-3,3'-BPM to conclude that the pi-spin polarization dominates in the spin alignment of the monoanion.

  DOI：

  10.1021/ja00150a029