1,8,9-trimethylanthracene | 63335-10-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 1,8,9-trimethylanthracene
• CAS: 63335-10-4
• 化学式: C₁₇H₁₆
• 分子量: 220.314
• InChiKey: ZSENAIKMUOJESY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,8,9-trimethylanthracene 在 对甲苯磺酸 作用下， 生成 4,5,10,4',5'-Pentamethyl-10'-methylene-9,10,9',10'-tetrahydro-[9,9']bianthracenyl
  参考文献：
  名称：

  Bowden,B.F.; Cameron,D.W., Journal of the Chemical Society. Chemical communications, 1977, p. 78 - 79

  摘要：

  DOI：
• 作为产物：
  描述：

  1,8-二氯-9-甲基蒽 、 三甲基铝 在 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) 作用下， 以 乙二醇二甲醚 、 正己烷 为溶剂， 反应 7.0h， 以100%的产率得到1,8,9-trimethylanthracene
  参考文献：
  名称：

  Sterically Congested in-Methylcyclophanes

  摘要：

  The crowded in-methylcyclophane 9 was prepared by condensation of 1,8,13-tris(bromomethyl)-9-methyltriptycene and 1,3,5-tris(mercaptomethyl)benzene under high dilution conditions. Oxidation of 9 gave the highly crystalline trisulfone 10, and its X-ray structure was determined. The in-methyl carbon atoms of the two independent molecules in the structure are only 2.90 and 2.87 A from the centroid of the basal aromatic ring, the closest such contacts ever observed. In addition, the C-CH3 bonds in these cyclophanes are compressed; the two independent bond distances are 1.475 and 1.495 A, significantly shorter than the ca. 1.54 A distances found in similar but uncongested molecules.

  DOI：

  10.1021/ja0529384

文献信息

• Sterically Congested <i>in</i>-Methylcyclophanes
  作者：Qiuling Song、Douglas M. Ho、Robert A. Pascal

  DOI：10.1021/ja0529384

  日期：2005.8.1

  The crowded in-methylcyclophane 9 was prepared by condensation of 1,8,13-tris(bromomethyl)-9-methyltriptycene and 1,3,5-tris(mercaptomethyl)benzene under high dilution conditions. Oxidation of 9 gave the highly crystalline trisulfone 10, and its X-ray structure was determined. The in-methyl carbon atoms of the two independent molecules in the structure are only 2.90 and 2.87 A from the centroid of the basal aromatic ring, the closest such contacts ever observed. In addition, the C-CH3 bonds in these cyclophanes are compressed; the two independent bond distances are 1.475 and 1.495 A, significantly shorter than the ca. 1.54 A distances found in similar but uncongested molecules.
• Bowden,B.F.; Cameron,D.W., Journal of the Chemical Society. Chemical communications, 1977, p. 78 - 79
  作者：Bowden,B.F.、Cameron,D.W.

  DOI：——

  日期：——