4,4'-Dimethoxy-3,5,3',5'-tetrakis-selenocyanatomethyl-biphenyl | 136613-10-0

• 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'-Dimethoxy-3,5,3',5'-tetrakis-selenocyanatomethyl-biphenyl
• 英文别名: [2-methoxy-5-[4-methoxy-3,5-bis(selenocyanatomethyl)phenyl]-3-(selenocyanatomethyl)phenyl]methyl selenocyanate
• CAS: 136613-10-0
• 化学式: C₂₂H₁₈N₄O₂Se₄
• 分子量: 686.251
• InChiKey: MVOUDHCUYVECBI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.11
• 重原子数：
  32
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3,3',5,5'-tetrakis(bromomethyl)biphenyl 、 4,4'-Dimethoxy-3,5,3',5'-tetrakis-selenocyanatomethyl-biphenyl 在 sodium tetrahydroborate 、 三(二甲胺基)膦 作用下， 生成
  参考文献：
  名称：

  Synthesis and properties of tetrakisbridged parallel- and cross-orientation biphenylophanes

  摘要：

  The two isomers of tetrakisbridged dimethoxybiphenylophanes, 1 and 2, have been synthesized. With respect to the Longest wavelength absorption bands due to the biphenyl chromophores, the cross-orientation isomer exhibited the marked bathochromic shift, while the parallel-orientation isomer the typical exciton splitting. Their transannular properties in solution were further confirmed by X-ray crystal analysis.

  DOI：

  10.1016/0040-4039(95)00174-b

文献信息

• Synthesis and Properties of [2.2](3,5)- and [2.2.2.2](3,3′,5,5′)-Diphenoquinonophanes
  作者：Keita Tani、Junji Takano、Yasuo Tohda、Masahiro Ariga、Hiroyuki Higuchi、Soichi Misumi

  DOI：10.1246/cl.1991.1461

  日期：1991.8

  The first synthesis and the physical properties of diphenoquinonophanes is reported along with their spectral evidences.

  本文报道了二苯醌萘并环的首次合成和物理性质，并提供了光谱证据。