2-(α-Aminobenzyl)-3-methylpyridin | 58088-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(α-Aminobenzyl)-3-methylpyridin
• 英文别名: (3-Methylpyridin-2-yl)-phenylmethanamine
• CAS: 58088-61-2
• 化学式: C₁₃H₁₄N₂
• 分子量: 198.268
• InChiKey: FUYNPLQVSXOYDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-(α-Aminobenzyl)-3-methylpyridin 生成 N-((3-methylpyridin-2-yl)(phenyl)methyl)acetamide
  参考文献：
  名称：

  Superelectrophilic chemistry of amino-nitriles and related substrates

  摘要：

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.038
• 作为产物：
  描述：

  苯 在 sodium tetrahydroborate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 2-(α-Aminobenzyl)-3-methylpyridin
  参考文献：
  名称：

  Superelectrophilic chemistry of amino-nitriles and related substrates

  摘要：

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.04.038

文献信息

• [EN] MODULATORS OF TREX1<br/>[FR] MODULATEURS DE TREX1
  申请人：CONSTELLATION PHARMACEUTICALS INC

  公开号：WO2021016317A1

  公开（公告）日：2021-01-28

  Provided are compounds of Formula (I): and pharmaceutically acceptable salts and compositons thereof, which are useful for treating a variety of conditions associated with TREX1.

  提供的是Formula (I)的化合物及其药用盐和组合物，可用于治疗与TREX1相关的多种疾病。
• Superelectrophilic chemistry of amino-nitriles and related substrates
  作者：Erum K. Raja、Douglas A. Klumpp

  DOI：10.1016/j.tet.2011.04.038

  日期：2011.6

  The superacid-promoted Houben/Hoesch reactions of amino-nitriles and related compounds have been studied. The nitriles form dicationic electrophiles and react with benzene in fair to good yields (12-95%). The intermediate iminium ions may also be reduced to the benzylic amines by NaBH4 or H-2. (C) 2011 Elsevier Ltd. All rights reserved.