17-Methoxybicyclo[11.3.1]heptadeca-1(17),13,15-triene | 132375-00-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 17-Methoxybicyclo[11.3.1]heptadeca-1(17),13,15-triene
• CAS: 132375-00-9
• 化学式: C₁₈H₂₈O
• 分子量: 260.42
• InChiKey: ASCDQWWRBVOCNA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,9-二溴壬烷 、 2,6-二甲基大茴香醚 在 正丁基锂 、 potassium tert-butylate 作用下， 生成 17-Methoxybicyclo[11.3.1]heptadeca-1(17),13,15-triene
  参考文献：
  名称：

  Methoxymetacyclophanes from 2,6-dimethylanisole

  摘要：

  [n]Metacyclophanes 2 (n = 8-15), [n.n]metacyclophanes 3 (n = 2,5-10), and [5.5.5]metacyclophane 4 were obtained by reacting dianion 1 from 2,6-dimethylanisole with alpha,omega-dihalides. The favored conformations of these cyclophanes were deduced from their NMR spectra and molecular mechanics calculations. An X-ray study showed dimeric cyclophane 3 (n = 9) to crystallize in essentially the conformation calculated to be of lowest energy. The methoxyl groups move through the large ring rapidly on the NMR time scale when the ring is larger than 18-membered for monomeric cyclophanes 2, 16- or 17-membered for dimeric cyclophanes 3, and in trimeric cyclophane 4 with its 24-membered ring.

  DOI：

  10.1021/jo00005a010

文献信息

• BATES, ROBERT B.;GANGWAR, SANJEEV;KANE, VINAYAK V.;SUVANNACHUT, KESSARA;T+, J. ORG. CHEM., 56,(1991) N, C. 1696-1699
  作者：BATES, ROBERT B.、GANGWAR, SANJEEV、KANE, VINAYAK V.、SUVANNACHUT, KESSARA、T+

  DOI：——

  日期：——
• Methoxymetacyclophanes from 2,6-dimethylanisole
  作者：Robert B. Bates、Sanjeev Gangwar、Vinayak V. Kane、Kessara Suvannachut、Stuart R. Taylor

  DOI：10.1021/jo00005a010

  日期：1991.3

  [n]Metacyclophanes 2 (n = 8-15), [n.n]metacyclophanes 3 (n = 2,5-10), and [5.5.5]metacyclophane 4 were obtained by reacting dianion 1 from 2,6-dimethylanisole with alpha,omega-dihalides. The favored conformations of these cyclophanes were deduced from their NMR spectra and molecular mechanics calculations. An X-ray study showed dimeric cyclophane 3 (n = 9) to crystallize in essentially the conformation calculated to be of lowest energy. The methoxyl groups move through the large ring rapidly on the NMR time scale when the ring is larger than 18-membered for monomeric cyclophanes 2, 16- or 17-membered for dimeric cyclophanes 3, and in trimeric cyclophane 4 with its 24-membered ring.