1,4,5,8,9,12-hexahydro-triphenylene | 114221-73-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1,4,5,8,9,12-hexahydro-triphenylene
• 英文别名: 1,4,5,8,9,12-Hexahydro-triphenylen；1,4,5,8,9,12-Hexahydrotriphenylene
• CAS: 114221-73-7
• 化学式: C₁₈H₁₈
• 分子量: 234.341
• InChiKey: VTYPJUFNVBQIKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  9,10-苯并菲 在 氨 、 lithium 作用下， 以3%的产率得到1,4,5,8,9,12-hexahydro-triphenylene
  参考文献：
  名称：

  The geometry of the 1,4-dihydronaphthalene ring

  摘要：

  研究人员将 1,4,5,8,9,12-Hexahydrotriphenylene 4 作为 1,4-dihydronaphthalene 的晶体模型；X 射线分析表明，该化合物的平面度在 0.06 Å 以内，与分子力学计算结果一致。

  DOI：

  10.1039/c39920000079

文献信息

• Reppe et al., Justus Liebigs Annalen der Chemie, 1955, vol. 596, p. 65
  作者：Reppe et al.

  DOI：——

  日期：——
• Metal-ammonia reduction of triphenylene
  作者：Z. Marcinow、A. Sygula、P. W. Rabideau

  DOI：10.1021/jo00250a035

  日期：1988.7
• DE746352
  申请人：——

  公开号：——

  公开（公告）日：——
• Photochemistry of Bridged and Unbridged Octaalkyl-Substituted syn-Tricyclo[4.2.0.02,5]octa-3,7-diene Derivatives
  作者：Rolf Gleiter、Stefan Brand

  DOI：10.1002/(sici)1521-3765(19981204)4:12<2532::aid-chem2532>3.0.co;2-6

  日期：1998.12.4

  The photochemistry of syn octamethyltricyclo[4.2.0.0(2.5)]octa-3,7-diene (1), its octaethyl congener 15, syn- 1,2,3,4,5,6,7,8,9,10,11,12-dodecahydro-8b, 12b-butanobenzo[3',4']cyclobuta-[1',2':3,4]cyclobuta[1,2-e]biphenylene (16) and syn-1,4,5,8,9,12-hexahydro-8b,12b-(but-3-eno)benzo[3',4']cyclobuta-[1',2':3,4]cyclobuta[1,2-e]biphenylene (17) was investigated. In the case of 1, six products were isolated. The main product was octamethylcuneane (19). As well as 6, the anti isomer of 1, octamethylcubane (18) was also found. The irradiation of 15 yielded a mixture of octaethylcubane (29) and octaethylcuneane (30), which could not be separated. The irradiation of 16 yielded five products, one of which (31) proved to be a propella[4(4)]prismane with averaged D-2d symmetry. A syn-anti isomerization to 38, and a photofragmentation to 39 was found when 17 was irradiated. In the case of 1, the mechanism of the reaction could be rationalized by involving either a biradical intermediate (40) or octamethylbicyclo[4.2.0]octa-2,4,7-triene (43). Support for the latter pathway was obtained by the detection of octamethylcyclooctaterraene (5) during irradiation.
• MAREINOW, Z.;SYGULA, A.;RABIDEAU, P. W., J. ORG. CHEM., 53,(1988) N 15, 3603-3606
  作者：MAREINOW, Z.、SYGULA, A.、RABIDEAU, P. W.

  DOI：——

  日期：——