1-甲基-3-(1-苯并三唑-1-基-2-甲基丙基)吲哚 | 149682-02-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 1-甲基-3-(1-苯并三唑-1-基-2-甲基丙基)吲哚
• 英文名称: 1-Methyl-3-<1-benzotriazol-1-yl-2-methylpropyl>indole
• 英文别名: 1-[2-Methyl-1-(1-methylindol-3-yl)propyl]benzotriazole
• CAS: 149682-02-0
• 化学式: C₁₉H₂₀N₄
• 分子量: 304.395
• InChiKey: UUQWSIBFDREPRX-UHFFFAOYSA-N

物化性质

• 沸点：
  512.0±33.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基-3-(1-苯并三唑-1-基-2-甲基丙基)吲哚 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以50%的产率得到1-methyl-3-(2-methylprop-1-en-1-yl)-1H-indole
  参考文献：
  名称：

  A Versatile Synthesis of 3-Substituted Indoles

  摘要：

  A variety of 3-substituted indoles are prepared from 1-methyl-3-(benzotriazol-1-ylalkyl)indoles (1), which are readily available either from the condensation of 3-methylindole with N-(benzotriazol-1-ylalkyl)carbamates or from the alkylation and silylation of lithiated 1-methyl-3-(benzotriazol-1-ylmethyl)indole (2).

  DOI：

  10.1080/00397919508011388
• 作为产物：
  描述：

  T406石油添加剂 在 对甲苯磺酸 、 zinc(II) chloride 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 2.0h， 生成 1-甲基-3-(1-苯并三唑-1-基-2-甲基丙基)吲哚
  参考文献：
  名称：

  Convenient novel syntheses of 1,1-bis(heteroaryl)alkanes

  摘要：

  A variety of symmetrical 1,1-bis(heteroaryl)alkanes are prepared in excellent yields from the reaction of N-(alpha-benzotriazolylalkyl)carbamate 2 (itself easily available from the condensation of benzotriazole, an aldehyde, and an alkyl carbamate) with an excess of 2-methylthiophene or 2-methylfuran. When methyl N-(alpha-benzotriazolylalkyl)carbamate 2a is treated with 1 equiv of a heterocycle, the benzo-triazolylalkyl-substituted heterocycle is formed. These intermediates react further with other heterocycles to give unsymmetrical 1, 1-bis(heteroaryl)alkanes in good yields under mild conditions.

  DOI：

  10.1021/jo00068a036

文献信息

• Convenient novel syntheses of 1,1-bis(heteroaryl)alkanes
  作者：Alan R. Katritzky、Linghong Xie、Wei Qiang Fan

  DOI：10.1021/jo00068a036

  日期：1993.7

  A variety of symmetrical 1,1-bis(heteroaryl)alkanes are prepared in excellent yields from the reaction of N-(alpha-benzotriazolylalkyl)carbamate 2 (itself easily available from the condensation of benzotriazole, an aldehyde, and an alkyl carbamate) with an excess of 2-methylthiophene or 2-methylfuran. When methyl N-(alpha-benzotriazolylalkyl)carbamate 2a is treated with 1 equiv of a heterocycle, the benzo-triazolylalkyl-substituted heterocycle is formed. These intermediates react further with other heterocycles to give unsymmetrical 1, 1-bis(heteroaryl)alkanes in good yields under mild conditions.
• A Versatile Synthesis of 3-Substituted Indoles
  作者：Alan R. Katritzky、Linghong Xie、Darren Cundy

  DOI：10.1080/00397919508011388

  日期：1995.2

  A variety of 3-substituted indoles are prepared from 1-methyl-3-(benzotriazol-1-ylalkyl)indoles (1), which are readily available either from the condensation of 3-methylindole with N-(benzotriazol-1-ylalkyl)carbamates or from the alkylation and silylation of lithiated 1-methyl-3-(benzotriazol-1-ylmethyl)indole (2).