methyl 4-(dimethylamino)-3-(9-hydroxynona-1,3-diynyl)benzoate | 1429327-25-2

• 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: methyl 4-(dimethylamino)-3-(9-hydroxynona-1,3-diynyl)benzoate
• 英文别名: Methyl 4-(dimethylamino)-3-(9-hydroxynona-1,3-diynyl)benzoate
• CAS: 1429327-25-2
• 化学式: C₁₉H₂₃NO₃
• 分子量: 313.397
• InChiKey: ZIEZQNKTGGZPJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(二甲基氨基)-3-碘苯甲酸甲酯 、 nona-6,8-diyn-1-ol 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 二异丙醇胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以61%的产率得到methyl 4-(dimethylamino)-3-(9-hydroxynona-1,3-diynyl)benzoate
  参考文献：
  名称：

  Synthesis of 2-(buta-1,3-diynyl)-N,N-dimethylanilines Using Reductive Methylation Step

  摘要：

  Synthesis of 2-(buta-1,3-diynyl)-N,N-dimethylanilines based on reductive methylation of ortho-iodoanilines using CH2O-NaBH3CN and coupling with terminal diacetylens was developed. Altered sequence including dimethylation of 2-(buta-1,3-diynyl)anilines was also successfully achieved and gave higher overall yields in the case of anilines without acceptor substituent in the ring.

  DOI：

  10.1016/j.mencom.2014.03.013

文献信息

• Synthesis of 2-(buta-1,3-diynyl)-N,N-dimethylanilines Using Reductive Methylation Step
  作者：Alexandra E. Kulyashova、Elena V. Mikheeva、Natalia A. Danilkina、Irina A. Balova

  DOI：10.1016/j.mencom.2014.03.013

  日期：2014.3

  Synthesis of 2-(buta-1,3-diynyl)-N,N-dimethylanilines based on reductive methylation of ortho-iodoanilines using CH2O-NaBH3CN and coupling with terminal diacetylens was developed. Altered sequence including dimethylation of 2-(buta-1,3-diynyl)anilines was also successfully achieved and gave higher overall yields in the case of anilines without acceptor substituent in the ring.