2-(α-hydroxy-4-methoxybenzyl)-1-methylquinoline-4-thione | 139710-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(α-hydroxy-4-methoxybenzyl)-1-methylquinoline-4-thione
• 英文别名: 2-[Hydroxy-(4-methoxyphenyl)methyl]-1-methylquinoline-4-thione
• CAS: 139710-89-7
• 化学式: C₁₈H₁₇NO₂S
• 分子量: 311.404
• InChiKey: QWPFAJFYKDTEDS-UHFFFAOYSA-N

物化性质

• 沸点：
  484.3±55.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  64.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(α-hydroxy-4-methoxybenzyl)-1-methylquinoline-4-thione 在 silica gel 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-methoxybenzoyl)-1-methyl-4-quinolone
  参考文献：
  名称：

  Hetero-ring lithiation of N-methyl-4-quinolone and N-methylquinoline-4-thione

  摘要：

  Lithiation of 1-methyl-4-quinolone and 1-methylquinoline-4-thione with lithium diisopropylamide (LDA) at -78-degrees-C takes place at C-2. The resulting lithio-species react with a variety of electrophiles to give 2-substituted-4-quinolones and -quinolines-4-thiones respectively. 1-Methylquinoline-4-thione is easily converted into 1-methyl-4-quinolone in protic solution.

  DOI：

  10.1039/p19920000351
• 作为产物：
  描述：

  1-甲基-4-喹诺酮 在 劳森试剂 、 lithium diisopropyl amide 作用下， 以 吡啶 为溶剂， 反应 5.0h， 生成 2-(α-hydroxy-4-methoxybenzyl)-1-methylquinoline-4-thione
  参考文献：
  名称：

  Hetero-ring lithiation of N-methyl-4-quinolone and N-methylquinoline-4-thione

  摘要：

  Lithiation of 1-methyl-4-quinolone and 1-methylquinoline-4-thione with lithium diisopropylamide (LDA) at -78-degrees-C takes place at C-2. The resulting lithio-species react with a variety of electrophiles to give 2-substituted-4-quinolones and -quinolines-4-thiones respectively. 1-Methylquinoline-4-thione is easily converted into 1-methyl-4-quinolone in protic solution.

  DOI：

  10.1039/p19920000351

文献信息

• Hetero-ring lithiation of N-methyl-4-quinolone and N-methylquinoline-4-thione
  作者：Mercedes Alvarez、Marisa Salas、Lluis Rigat、Ana de Veciana、John A. Joule

  DOI：10.1039/p19920000351

  日期：——

  Lithiation of 1-methyl-4-quinolone and 1-methylquinoline-4-thione with lithium diisopropylamide (LDA) at -78-degrees-C takes place at C-2. The resulting lithio-species react with a variety of electrophiles to give 2-substituted-4-quinolones and -quinolines-4-thiones respectively. 1-Methylquinoline-4-thione is easily converted into 1-methyl-4-quinolone in protic solution.