methyl 2-(4-amino-2-fluoro-6-methylphenyl)-2-((3-fluoro-5-methylphenyl)amino)acetate | 1447640-78-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(4-amino-2-fluoro-6-methylphenyl)-2-((3-fluoro-5-methylphenyl)amino)acetate
• 英文别名: Methyl 2-(4-amino-2-fluoro-6-methylphenyl)-2-(3-fluoro-5-methylanilino)acetate；methyl 2-(4-amino-2-fluoro-6-methylphenyl)-2-(3-fluoro-5-methylanilino)acetate
• CAS: 1447640-78-9
• 化学式: C₁₇H₁₈F₂N₂O₂
• 分子量: 320.339
• InChiKey: LMHTVRUUSJLJBA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-2-羟基-2-甲氧基-1-硝基乙烯重氮 、 3-氟-5-甲基苯胺 以 甲醇 为溶剂， 反应 108.0h， 以64%的产率得到methyl 2-(4-amino-2-fluoro-6-methylphenyl)-2-((3-fluoro-5-methylphenyl)amino)acetate
  参考文献：
  名称：

  A catalyst-free N–H insertion/Mannich-type reaction cascade of α-nitrodiazoesters

  摘要：

  A catalyst-free N-H insertion/Mannich-type reaction cascade of alpha-nitrodiazoesters with anilines has been developed to afford a variety of alpha-amino-alpha-aryl esters in 60-83% yields and under mild reaction conditions (23 or 40 degrees C). (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.131

文献信息

• A catalyst-free N–H insertion/Mannich-type reaction cascade of α-nitrodiazoesters
  作者：Ting Yang、Hao Zhuang、Xichen Lin、Jia-Ning Xiang、John D. Elliott、Lianghui Liu、Feng Ren

  DOI：10.1016/j.tetlet.2013.05.131

  日期：2013.8

  A catalyst-free N-H insertion/Mannich-type reaction cascade of alpha-nitrodiazoesters with anilines has been developed to afford a variety of alpha-amino-alpha-aryl esters in 60-83% yields and under mild reaction conditions (23 or 40 degrees C). (C) 2013 Elsevier Ltd. All rights reserved.