1-(4-methoxyphenoxy)methyl-1H-benzotriazole | 123622-05-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-(4-methoxyphenoxy)methyl-1H-benzotriazole
• 英文别名: 1-[(4-methoxyphenoxy)methyl]-1H-1,2,3-benzotriazole；1-[(4-methoxyphenoxy)methyl]benzotriazole
• CAS: 123622-05-9
• 化学式: C₁₄H₁₃N₃O₂
• 分子量: 255.276
• InChiKey: CJWLURMEOSRPAH-UHFFFAOYSA-N

物化性质

• 沸点：
  456.4±25.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  49.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-methoxyphenoxy)methyl-1H-benzotriazole 在 正丁基锂 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 1-(adamantylidene-4-methoxyphenoxy-methyl)-1H-benzotriazole
  参考文献：
  名称：

  A general synthesis of 1-(1-alkenyl)benzotriazoles

  摘要：

  1-Methyl, 1-(alkoxymethyl) and 1-(trimethylsilylmethyl)benzotriazoles are metallated at the alpha-carbon. Trapping of the resulting metallated species with chlorotrimethylsilane gives compounds which undergo Peterson olefination even with hindered ketones. In some cases, metallation at the 4-position of the benzotriazole is observed. An exhaustive metallation/silylation sequence gives 4-trimethylsilyl substituted 1-benzotriazoles in good yields. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00690-0
• 作为产物：
  描述：

  T406石油添加剂 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 6.75h， 生成 1-(4-methoxyphenoxy)methyl-1H-benzotriazole
  参考文献：
  名称：

  Reactions of 1-(.alpha.-alkoxyalkyl)- and 1-(.alpha.-(aryloxy)alkyl)benzotriazoles with the Grignard reagents. A new and versatile method for the preparation of ethers

  摘要：

  DOI：

  10.1021/jo00287a011

文献信息

• Reactions of 1-(.alpha.-alkoxyalkyl)- and 1-(.alpha.-(aryloxy)alkyl)benzotriazoles with the Grignard reagents. A new and versatile method for the preparation of ethers
  作者：Alan R. Katritzky、Stanislaw Rachwal、Bogumila Rachwal

  DOI：10.1021/jo00287a011

  日期：1989.12
• A general synthesis of 1-(1-alkenyl)benzotriazoles
  作者：David P.M Pleynet、Jonathan K Dutton、A Peter Johnson

  DOI：10.1016/s0040-4020(99)00690-0

  日期：1999.10

  1-Methyl, 1-(alkoxymethyl) and 1-(trimethylsilylmethyl)benzotriazoles are metallated at the alpha-carbon. Trapping of the resulting metallated species with chlorotrimethylsilane gives compounds which undergo Peterson olefination even with hindered ketones. In some cases, metallation at the 4-position of the benzotriazole is observed. An exhaustive metallation/silylation sequence gives 4-trimethylsilyl substituted 1-benzotriazoles in good yields. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

表征谱图