methyl 2-(N-ethyl-methylsulfonylamino)benzoate | 928708-57-0

• 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 2-(N-ethyl-methylsulfonylamino)benzoate
• 英文别名: Methyl 2-(N-ethylmethanesulfonamido)benzoate；methyl 2-[ethyl(methylsulfonyl)amino]benzoate
• CAS: 928708-57-0
• 化学式: C₁₁H₁₅NO₄S
• 分子量: 257.31
• InChiKey: CLROIUFAUJYHFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 2-(N-ethyl-methylsulfonylamino)benzoate 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-ethyl-1H-2,1-benzothiazin-4(3H)-one 2,2-dioxide
  参考文献：
  名称：

  An efficient, three-component synthesis and molecular structure of derivatives of 2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide spirocombined with a 2-oxindole nucleus

  摘要：

  Spiro[(2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide)-4,3'-(1'-R'-5'-R ''-indolin-2'-one)] compounds were synthesized based on the three-component interaction of benzo[c][2,1]thiazin-4-on 2,2-dioxide with corresponding isatins and appropriate methylene active nitriles in the presence of a base as a catalyst. The molecular structures of the target compounds were proved uniquely by the X-ray diffraction analysis method. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.09.005
• 作为产物：
  描述：

  邻氨基苯甲酸甲酯 在 N-甲基吗啉 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 生成 methyl 2-(N-ethyl-methylsulfonylamino)benzoate
  参考文献：
  名称：

  An efficient, three-component synthesis and molecular structure of derivatives of 2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide spirocombined with a 2-oxindole nucleus

  摘要：

  Spiro[(2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide)-4,3'-(1'-R'-5'-R ''-indolin-2'-one)] compounds were synthesized based on the three-component interaction of benzo[c][2,1]thiazin-4-on 2,2-dioxide with corresponding isatins and appropriate methylene active nitriles in the presence of a base as a catalyst. The molecular structures of the target compounds were proved uniquely by the X-ray diffraction analysis method. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2014.09.005

文献信息

• Shafiq, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem, Asian Journal of Chemistry, 2011, vol. 23, # 5, p. 2101 - 2105
  作者：Shafiq, Muhammad、Khan, Islam Ullah、Arshad, Muhammad Nadeem、Siddiqui, Waseeq Ahmad

  DOI：——

  日期：——
• An efficient, three-component synthesis and molecular structure of derivatives of 2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide spirocombined with a 2-oxindole nucleus
  作者：Leonid A. Shemchuk、Dmitry A. Lega、Ruslan Gr. Redkin、Valentin P. Chernykh、Oleg V. Shishkin、Svetlana V. Shishkina

  DOI：10.1016/j.tet.2014.09.005

  日期：2014.11

  Spiro[(2-amino-3-R-6-ethyl-4,6-dihydropyrano[3,2-c][2,1]benzothiazine-5,5-dioxide)-4,3'-(1'-R'-5'-R ''-indolin-2'-one)] compounds were synthesized based on the three-component interaction of benzo[c][2,1]thiazin-4-on 2,2-dioxide with corresponding isatins and appropriate methylene active nitriles in the presence of a base as a catalyst. The molecular structures of the target compounds were proved uniquely by the X-ray diffraction analysis method. (C) 2014 Elsevier Ltd. All rights reserved.