2,3-dimethyltriptycene | 27884-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 2,3-dimethyltriptycene
• 英文别名: 6,7-dimethyltriptycene；2,3-Dimethyl-triptycen；9,10-(1,2-Benzeno)anthracene, 2,3-dimethyl-9,10-dihydro-；4,5-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene
• CAS: 27884-45-3
• 化学式: C₂₂H₁₈
• mdl: MFCD00408313
• 分子量: 282.385
• InChiKey: OBAQDOIKWAMJOW-UHFFFAOYSA-N

物化性质

• 熔点：
  240-242 °C
• 沸点：
  404.6±40.0 °C(Predicted)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  6.0
• 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：

  2,3-dimethyltriptycene 以71%的产率得到
  参考文献：
  名称：

  Sereda G. A., Laptewa W. L., Skwartschenko W. R., Zh. organ. khimii, 28 (1992) N 10, S 2120-2126

  摘要：

  DOI：
• 作为产物：
  描述：

  2-formyl-3-methyltriptycene 在 一水合肼 作用下， 以 various solvent(s) 为溶剂， 以78%的产率得到2,3-dimethyltriptycene
  参考文献：
  名称：

  Sereda, G. A.; Borisenko, A. A.; Lapteva, V. L., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 6.1, p. 863 - 873

  摘要：

  DOI：

文献信息

• Tetrathiafulvalene-functionalized triptycenes: synthetic protocols and elucidation of intramolecular Coulomb repulsions in the oxidized species
  作者：Jiří Rybáček、Markéta Rybáčková、Martin Høj、Martin Bělohradský、Petr Holý、Kristine Kilså、Mogens Brøndsted Nielsen

  DOI：10.1016/j.tet.2007.06.020

  日期：2007.9

  A large selection of triptycenes functionalized with tetrathiafulvalene (TTF) units as well as triptycenes containing extended TTFs as a part of the triptycene core have been synthesized utilizing new triptycene di- and tetraaldehydes as well as bis-, tetrakis- and hexakis(bromomethyl) derivatives. The largest scaffold contains a total of 12 TTFs around the central triptycene core. From spectroelectro-chemical and chemical oxidation studies, we have elucidated the extent to which an increasing number of electrostatic interactions among oxidized TTF units exert an influence on the absorption characteristics. (c) 2007 Elsevier Ltd. All rights reserved.
• Skvarchenko,V.R. et al., Journal of Organic Chemistry USSR (English Translation), 1970, vol. 6, p. 170 - 172
  作者：Skvarchenko,V.R. et al.

  DOI：——

  日期：——
• Sereda, G. A.; Teinor, F.; Lapteva, V. L., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 6.2, p. 997 - 1000
  作者：Sereda, G. A.、Teinor, F.、Lapteva, V. L.、Skvarchenko, V. R.

  DOI：——

  日期：——
• Dynamic gearing and residual stereoisomerism in labeled bis(9-triptycyl)methane and related molecules. Synthesis and stereochemistry of bis(2,3-dimethyl-9-triptycyl)methane, bis(2,3-dimethyl-9-triptycyl)carbinol, and bis(1,4-dimethyl-9-triptycyl)methane
  作者：Alberto Guenzi、Constance A. Johnson、Franco Cozzi、Kurt Mislow

  DOI：10.1021/ja00344a005

  日期：1983.3
• GUENZI, A.;JOHNSON, C. A.;COZZI, F.;MISLOW, K., J. AMER. CHEM. SOC., 1983, 105, N 6, 1438-1448
  作者：GUENZI, A.、JOHNSON, C. A.、COZZI, F.、MISLOW, K.

  DOI：——

  日期：——