1,10-dihexyl-4,7-diisopropyltetracene | 1334596-57-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 并四苯
• 英文名称: 1,10-dihexyl-4,7-diisopropyltetracene
• 英文别名: 1,10-Dihexyl-4,7-di(propan-2-yl)tetracene；1,10-dihexyl-4,7-di(propan-2-yl)tetracene
• CAS: 1334596-57-4
• 化学式: C₃₆H₄₈
• 分子量: 480.777
• InChiKey: ARXOHFDABXUXDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.6
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  2-hexyl-5-isopropylfuran 、 3,6-双(三甲基硅基)萘-2,7-二基双(三氟甲磺酸酯) 在 potassium fluoride 、 18-冠醚-6 、 palladium 10% on activated carbon 、 氢气 、 盐酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 22.0h， 生成 1,10-dihexyl-4,7-diisopropyltetracene 、 1,7-dihexyl-4,10-diisopropyltetracene
  参考文献：
  名称：

  Synthesis and Properties of anti/syn-Regioisomeric Mixtures of Alkyl-Substituted Tetracenes

  摘要：

  We prepared anti/syn-regioisomeric mixtures of alkyl-substituted tetracenes via Diels-Alder reaction between asymmetric furans and 2,6-naphthodiyne synthon. The solid-state color of the mixtures changed before and after recrystallization from Et2O, suggesting a difference in the molecular arrangements dependent on the different alkyl substituents as well as the change in the distribution of the anti/syn regioisomers after recrystallization. Slow evaporation of the recrystallized mixtures produced single crystals suitable for X-ray analysis, which revealed that the anti regioisomer was isolated.

  DOI：

  10.3987/com-11-12191

文献信息

• Synthesis and Properties of anti/syn-Regioisomeric Mixtures of Alkyl-Substituted Tetracenes
  作者：Chitoshi Kitamura、Hiroyuki Kano、Hideki Tsukuda、Takeshi Kawase、Takashi Kobayashi、Hiroyoshi Naito

  DOI：10.3987/com-11-12191

  日期：——

  We prepared anti/syn-regioisomeric mixtures of alkyl-substituted tetracenes via Diels-Alder reaction between asymmetric furans and 2,6-naphthodiyne synthon. The solid-state color of the mixtures changed before and after recrystallization from Et2O, suggesting a difference in the molecular arrangements dependent on the different alkyl substituents as well as the change in the distribution of the anti/syn regioisomers after recrystallization. Slow evaporation of the recrystallized mixtures produced single crystals suitable for X-ray analysis, which revealed that the anti regioisomer was isolated.