N-[(3,5-dimethylphenyl)methyl]-1-(4-prop-2-ynoxyphenyl)methanamine | 1187488-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(3,5-dimethylphenyl)methyl]-1-(4-prop-2-ynoxyphenyl)methanamine
• CAS: 1187488-58-9
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: WAFVWFCGLIYFMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[(3,5-dimethylphenyl)methyl]-1-(4-prop-2-ynoxyphenyl)methanamine 在 盐酸 、 ammonium hexafluorophosphate 作用下， 以 甲醇 、 水 、 二氯甲烷 为溶剂， 反应 0.08h， 以68%的产率得到
  参考文献：
  名称：

  Synthesis of [2]- and [3]rotaxanes through Sonogashira coupling

  摘要：

  The synthesis of new [2]- and [3]rotaxanes through Sonogashira coupling has been accomplished in the aim to built oligo(phenyleneethynylene) (OPE) encircled by crown ethers. Optimization of the Sonogashira coupling for the formation of the [2]rotaxane (capping reaction) is presented and the best method has been applied for the synthesis of the longer [3]rotaxane. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.101
• 作为产物：
  描述：

  3,5-二甲基苄胺 、 4-(丙-2-炔-1-基氧基)苯甲醛 在 lithium aluminium tetrahydride 作用下， 以 甲苯 、 四氢呋喃 为溶剂， 反应 14.0h， 以92%的产率得到N-[(3,5-dimethylphenyl)methyl]-1-(4-prop-2-ynoxyphenyl)methanamine
  参考文献：
  名称：

  Synthesis of [2]- and [3]rotaxanes through Sonogashira coupling

  摘要：

  The synthesis of new [2]- and [3]rotaxanes through Sonogashira coupling has been accomplished in the aim to built oligo(phenyleneethynylene) (OPE) encircled by crown ethers. Optimization of the Sonogashira coupling for the formation of the [2]rotaxane (capping reaction) is presented and the best method has been applied for the synthesis of the longer [3]rotaxane. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.07.101

文献信息

• Synthesis of [2]- and [3]rotaxanes through Sonogashira coupling
  作者：Jean-Benoît Giguère、Dominic Thibeault、Francis Cronier、Jean-Sébastien Marois、Michèle Auger、Jean-François Morin

  DOI：10.1016/j.tetlet.2009.07.101

  日期：2009.9

  The synthesis of new [2]- and [3]rotaxanes through Sonogashira coupling has been accomplished in the aim to built oligo(phenyleneethynylene) (OPE) encircled by crown ethers. Optimization of the Sonogashira coupling for the formation of the [2]rotaxane (capping reaction) is presented and the best method has been applied for the synthesis of the longer [3]rotaxane. (C) 2009 Elsevier Ltd. All rights reserved.