7-methoxy-2-methylnaphtho[1,2-b]thiophene

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-methoxy-2-methylnaphtho[1,2-b]thiophene
• 英文别名: 7-methoxy-2-methylbenzo[g][1]benzothiole
• 化学式: C₁₄H₁₂OS
• 分子量: 228.315
• InChiKey: HCLCZYDZDKBAQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  37.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-methoxy-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid 在 正丁基锂 作用下， 生成 7-methoxy-2-methylnaphtho[1,2-b]thiophene
  参考文献：
  名称：

  7-Methoxy-2-methylnaphtho[1,2-b]thiophene

  摘要：

  The three rings in the molecule of the title compound, C14H12OS, are planar, with the methyl and methoxy groups coplanar with the rest of the molecule. The average C-S distance of the thiophene moiety is 1.737 (3) Angstrom. The crystal structure is composed of discrete molecules separated by van der Waals contacts.

  DOI：

  10.1107/s0108270199009543

文献信息

• Regioselective Alkylation Of Polycyclic Thiophene Derivatives By Butyllithium And Alkyl Halide
  作者：Dipanjan Pan、Jayanta K. Ray

  DOI：10.1080/00397910008087272

  日期：2000.10

  Abstract Polycyclic thiophene derivatives including the bisthiophene have been regioselectively alkylated by n-BuLi, and methyl iodide/ and allyl bromide.

  摘要 包括双噻吩在内的多环噻吩衍生物已被正丁基锂、甲基碘/和烯丙基溴区域选择性烷基化。
• 7-Methoxy-2-methylnaphtho[1,2-<i>b</i>]thiophene
  作者：J. K. Ray、D. Pan、S. Shanmuga Sundara Raj、H.-K. Fun

  DOI：10.1107/s0108270199009543

  日期：1999.11.15

  The three rings in the molecule of the title compound, C14H12OS, are planar, with the methyl and methoxy groups coplanar with the rest of the molecule. The average C-S distance of the thiophene moiety is 1.737 (3) Angstrom. The crystal structure is composed of discrete molecules separated by van der Waals contacts.