2,2'-diacetoxymethyl-6,6'-dimethoxybiphenyl | 77982-81-1

• 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: 2,2'-diacetoxymethyl-6,6'-dimethoxybiphenyl
• 英文别名: 2,2'-diacetoxymethyl-6,6'-dimethoxydiphenyl；6,6'-Bis-2,2'-dimethoxy-biphenyl
• CAS: 77982-81-1
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.391
• InChiKey: HNZRIUTWIOOVAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  71.06
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid 在 吡啶 、 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 为溶剂， 反应 1.5h， 生成 2,2'-diacetoxymethyl-6,6'-dimethoxybiphenyl
  参考文献：
  名称：

  The use of chiral shift reagents in an NMR study of 2,2′,6,6′-tetrasubstituted biphenyls

  摘要：

  AbstractThe determination of the enantiomeric composition of 2,2′,6′6′‐tetrasubstituted biphenyls using 1H NMR spectroscopy, in combination with chiral lanthanide shift reagents, has been studied. In general, the S compounds give largeer induced shifts than the correspondind R isomers when d‐camphor derived shift reagents are used.

  DOI：

  10.1002/mrc.1270140603

文献信息

• Lanthanide induced shifts as a conformational probe foro,o,o′,o′-tetrasubstituted diphenyls
  作者：E. Díaz、A. Guzmán、M. Cruz、J. Mares、D. J. Ramírez、P. Joseph-Nathan

  DOI：10.1002/mrc.1270130306

  日期：1980.3

  AbstractThe 1H NMR spectra of several symmetrical diphenyls, having two unlike substituents on the ortho positions of each aromatic ring, were determined in the presence of Eu(fod)3 and of Pr(fod)3. The lanthanide induced shifts were used to establish the more probable conformation of the molecules, as deduced from computer calculations assuming pseudocontact interactions. It was found that the two like groups are in opposite conformation and that the inter‐ring angles are in the order of 15–35°.