4,4'''-di(phenyl-d5)-o-quaterphenyl | 78486-68-7

• 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: 4,4'''-di(phenyl-d5)-o-quaterphenyl
• 英文别名: 1,2,3,4,5-pentadeuterio-6-[4-[2-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]phenyl]phenyl]benzene
• CAS: 78486-68-7
• 化学式: C₃₆H₂₆
• 分子量: 468.523
• InChiKey: YPDFFIAAXRWYAK-IGSHGBDJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.02
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  4,4'''-diiodo-o-quaterphenyl 、 Phenyl-d5-magnesium bromide 以77%的产率得到
  参考文献：
  名称：

  IBUKI EIICHI; OZASA SHIGERU; FUKOKA YASUHIRO; OKADA MOTOFUMI; IZUMI HIROM+, CHEM. AND PHARM. BULL., 1981, 29, NO 2, 370-378

  摘要：

  DOI：

文献信息

• Syntheses and physical properties of several deuterium-labelled polyphenyls.
  作者：SHIGERU OZASA、YASUHIRO FUJIOKA、MOTOFUMI OKADA、HIROMI IZUMI、EIICHI IBUKI

  DOI：10.1248/cpb.29.370

  日期：——

  A Kharash-type Grignard cross-coupling reaction of phenyl-d5-magnesium bromide and an appropriate diiodo compound in the presence of bis (acetylacetonato) nickel (II) was successfully employed for the syntheses of twelve new decadeuterated polyphenyls, each of which has phenyl-d5 rings at both termini. On the basis of the nuclear magnetic resonance spectra of the deuterated and normal polyphenyls, close correlations between the apparent signal patterns of phenylene groups and the structures of the adjacent groups became apparent. The mass spectral studies revealed that the deuterated polyphenyls containing o-linkage (s) were less stable to electron bombardment than those containing no o-linkage. Inspection of the ultraviolet spectra of the deuterated polyphenyls showed that the isotope effect in their K-bands was hardly detectable.

  在双（乙酰丙酮）镍（II）存在下，苯基-d5-溴化镁和适当的二碘化合物的卡拉什型格氏交叉偶联反应成功地用于合成十二种新的十氘代多苯基，每种都含有苯基-d5 在两个末端均响铃。根据氘代和正态聚苯的核磁共振谱，亚苯基的表观信号模式与相邻基团的结构之间的密切相关性变得明显。质谱研究表明，含有o-键的氘代多苯对电子轰击的稳定性低于不含o-键的氘代多苯。对氘代聚苯的紫外光谱的检查表明，其K带中的同位素效应几乎检测不到。