4-(3-biphenylyl)-2'-nitrobiphenyl | 78486-91-6

• 英文名称: 4-(3-biphenylyl)-2'-nitrobiphenyl
• 英文别名: 1-nitro-2-[4-(3-phenylphenyl)phenyl]benzene
• CAS: 78486-91-6
• 化学式: C₂₄H₁₇NO₂
• 分子量: 351.404
• InChiKey: NKXIRFMNKROYRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-(3-biphenylyl)-2'-nitrobiphenyl 以94%的产率得到
  参考文献：
  名称：

  OZASA SHIGERU; FUJIOKA YASUHIRO; TSUKADA MACHIYO; IBUKI EIICHI, CHEM. AND PHARM. BULL., 1981, 29, NO 2, 344-355

  摘要：

  DOI：
• 作为产物：
  描述：

  3-碘联苯 、 4'-iodo-2-nitrobiphenyl 以20%的产率得到
  参考文献：
  名称：

  OZASA SHIGERU; FUJIOKA YASUHIRO; TSUKADA MACHIYO; IBUKI EIICHI, CHEM. AND PHARM. BULL., 1981, 29, NO 2, 344-355

  摘要：

  DOI：

文献信息

• Syntheses and physical properties of several octiphenyls containing mixed linkages.
  作者：SHIGERU OZASA、YASUHIRO FUJIOKA、MACHIYO TSUKADA、EIICHI IBUKI

  DOI：10.1248/cpb.29.344

  日期：——

  Eight new linear octiphenyls containing two or three kinds of linkage were synthesized by the Ullmann homo-coupling reaction of iodoquaterphenyl. Among them, five compounds were alternatively synthesized by the Kharash-type Grignard cross-coupling of biphenylylmagnesium bromide and diiodoquaterphenyl or of terphenylylmagnesium iodide and diiodoquaterphenyl in the presence of bis (acetylacetonato) nickel (II). Spectral studies proved that the octiphenyls thus prepared displayed highly characteristic infrared, ultraviolet, and nuclear magnetic resonance spectra. Empirical Huckel molecular orbital calculations of the longest wavelength absorption bands of the octiphenyls were also performed. The calculated and observed wavelengths were in rather good agreement, except for the cases of two compounds.

  通过碘四联苯的Ullmann同系偶联反应合成了8个新型线性八联苯，包含2种或3种连接方式。其中5个化合物是通过双(乙酰丙酮)镍(II)催化的二碘四联苯和联苯基溴化镁或三联苯基碘化镁的Kharash型Grignard交叉偶联反应替代合成的。光谱研究表明，这些合成的八联苯显示出非常有特征的红外、紫外和核磁共振光谱。同时对八联苯最长波长吸收带的实验性Huckel分子轨道计算也进行了研究，除了两种化合物外，计算得到的波长与观测值相当吻合。