Heptacyclo[10.8.0.02,11.03,20.04,19.05,10.013,18]icosa-5,7,9,13,15,17-hexaene-1,3-dicarbonitrile | 60665-89-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: Heptacyclo[10.8.0.02,11.03,20.04,19.05,10.013,18]icosa-5,7,9,13,15,17-hexaene-1,3-dicarbonitrile
• CAS: 60665-89-6
• 化学式: C₂₂H₁₄N₂
• 分子量: 306.367
• InChiKey: KMPRTNHQFQPQJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Heptacyclo[10.8.0.02,11.03,20.04,19.05,10.013,18]icosa-5,7,9,13,15,17-hexaene-1,3-dicarbonitrile 、 甲醇 生成 Dimethyl heptacyclo[10.8.0.02,11.03,20.04,19.05,10.013,18]icosa-5,7,9,13,15,17-hexaene-1,3-dicarboxylate
  参考文献：
  名称：

  ALBINI, A.;GIANNANTONIO, L., J. ORG. CHEM., 1984, 49, N 20, 3862-3863

  摘要：

  DOI：
• 作为产物：
  描述：

  2-萘甲腈 以 正己烷 、 苯 为溶剂， 反应 240.0h， 以15%的产率得到Heptacyclo[10.8.0.02,11.03,20.04,19.05,10.013,18]icosa-5,7,9,13,15,17-hexaene-1,3-dicarbonitrile
  参考文献：
  名称：

  Control of regiochemistry in photodimerization through micellar preorientational effect: 2-substituted naphthalenes

  摘要：

  DOI：

  10.1021/jo00177a029

文献信息

• Formation of Cubane-like Photodimers from 2-Naphthalenecarbonitrile
  作者：Gui-Hong Liao、Lin Luo、Hong-Xia Xu、Xiao-Ling Wu、Lei Lei、Chen-Ho Tung、Li-Zhu Wu

  DOI：10.1021/jo800927t

  日期：2008.9.19

  Irradiation of 2-naphthalenecarbonitrile (2-NpCN) in solution with a light lambda > 280 nm results in the formation of three rigid cubane-like photodimers, anti-head-to-head 1, anti-head-to-tail 2, and syn-head-to-tail 3, which are not in line With the previously recognized regioselectivity. These cubane-like photodimers have been well characterized by spectroscopic investigation and/or X-ray crystal structural analysis in this work. Moreover, the separation of the optically pure enantiomers of 1, 2, and 3 has been achieved by HPLC resolution.
• Photochemical dimerization and cross cycloaddition of 2-naphthalenecarbonitrile
  作者：Angelo Albini、Leo Giannantonio

  DOI：10.1021/jo00194a049

  日期：1984.10
• RAMESH, V.;RAMAMURTHY, V., J. ORG. CHEM., 1984, 49, N 3, 536-539
  作者：RAMESH, V.、RAMAMURTHY, V.

  DOI：——

  日期：——