16-(7,8,9,10,11,12-Hexahydro-cycloocta[a]naphthalen-5-yl)-tricyclo[6.6.2.0^2,7]hexadeca-1(15),2(7),3,5-tetraene | 135339-96-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 16-(7,8,9,10,11,12-Hexahydro-cycloocta[a]naphthalen-5-yl)-tricyclo[6.6.2.0^2,7]hexadeca-1(15),2(7),3,5-tetraene
• 英文别名: 8-(15-Tricyclo[6.6.2.02,7]hexadeca-2,4,6,8(16)-tetraenyl)tricyclo[8.6.0.02,7]hexadeca-1(10),2,4,6,8-pentaene
• CAS: 135339-96-7
• 化学式: C₃₂H₃₆
• 分子量: 420.638
• InChiKey: POMDBRQUUPIQDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  32
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.44
• 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：

  [6](1,4)naphthalenophane 在 硫酸 作用下， 以 二氯甲烷 为溶剂， 生成 16-(7,8,9,10,11,12-Hexahydro-cycloocta[a]naphthalen-5-yl)-tricyclo[6.6.2.0^2,7]hexadeca-1(15),2(7),3,5-tetraene 、 (8S,16R)-16-Tricyclo[7.6.1.02,7]hexadeca-1(16),2(7),3,5,8-pentaen-8-yl-tricyclo[6.6.2.02,7]hexadeca-1(15),2(7),3,5-tetraene 、 、
  参考文献：
  名称：

  Telomers of bent arenes. Acid-catalyzed dimerization and trimerization of the 1,4-hexamethylene-bridged arenes [6]paracyclophane, [6](1,4)naphthalenophane, and [6](1,4)anthracenophane

  摘要：

  Whereas treatment of 1,4-hexamethylene-bridged benzene [6]paracyclophane (1) with a catalytic amount of H2SO4 gave, as a minor product, dimer 6, along with isomers 4 and 5, similar treatment of 1,4-hexamethylene-bridged naphthalene [6](1,4)naphthalenophane (2) afforded predominantly dimers 7 and 8, together with trimers 9 and 10. The 1,4-hexamethylene-bridged anthracene [6](1,4)thracenophane (3) yielded only trimers 13 and 14.

  DOI：

  10.1021/jo00018a003

文献信息

• Telomers of bent arenes. Acid-catalyzed dimerization and trimerization of the 1,4-hexamethylene-bridged arenes [6]paracyclophane, [6](1,4)naphthalenophane, and [6](1,4)anthracenophane
  作者：Yoshito Tobe、Mamoru Jimbo、Kazuya Kobiro、Kiyomi Kakiuchi

  DOI：10.1021/jo00018a003

  日期：1991.8

  Whereas treatment of 1,4-hexamethylene-bridged benzene [6]paracyclophane (1) with a catalytic amount of H2SO4 gave, as a minor product, dimer 6, along with isomers 4 and 5, similar treatment of 1,4-hexamethylene-bridged naphthalene [6](1,4)naphthalenophane (2) afforded predominantly dimers 7 and 8, together with trimers 9 and 10. The 1,4-hexamethylene-bridged anthracene [6](1,4)thracenophane (3) yielded only trimers 13 and 14.