1-(diethylamino)-2-methyl-3-phenyl-4(phenylsulfonyl)cyclobutadiene | 134391-36-9

• 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: 1-(diethylamino)-2-methyl-3-phenyl-4(phenylsulfonyl)cyclobutadiene
• 英文别名: 2-(benzenesulfonyl)-N,N-diethyl-4-methyl-3-phenylcyclobuta-1,3-dien-1-amine
• CAS: 134391-36-9
• 化学式: C₂₁H₂₃NO₂S
• 分子量: 353.485
• InChiKey: OQFRJHSCPHKPOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(diethylamino)-2-methyl-3-phenyl-4(phenylsulfonyl)cyclobutadiene 、 丁炔二酸二甲酯 生成 6-Benzenesulfonyl-5-diethylamino-2-methyl-biphenyl-3,4-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Sulfone reagents in organic synthesis. 8. Cyclobutadiene intermediates in cycloaddition reactions of 1-alkynyl sulfones with 1-alkynylamines

  摘要：

  The initially formed product from ynamines, such as diethyl(1-propynl)amine, and 1-alkynyl sulfones is in fact the corresponding cyclobutadiene and not the 2-sulfinyl-4-aminofuran proposed by Himbert. The formation of the cyclobutadiene ring has been established by MS, IR, and H-1 NMR data, as well as by chemical trapping experiments.

  DOI：

  10.1021/jo00013a005
• 作为产物：
  描述：

  2-(苯磺酰基)乙炔基苯 、 1-(二乙氨基)丙炔 生成 1-(diethylamino)-2-methyl-3-phenyl-4(phenylsulfonyl)cyclobutadiene
  参考文献：
  名称：

  Sulfone reagents in organic synthesis. 8. Cyclobutadiene intermediates in cycloaddition reactions of 1-alkynyl sulfones with 1-alkynylamines

  摘要：

  The initially formed product from ynamines, such as diethyl(1-propynl)amine, and 1-alkynyl sulfones is in fact the corresponding cyclobutadiene and not the 2-sulfinyl-4-aminofuran proposed by Himbert. The formation of the cyclobutadiene ring has been established by MS, IR, and H-1 NMR data, as well as by chemical trapping experiments.

  DOI：

  10.1021/jo00013a005

文献信息

• EISCH, JOHN J.;HALLENBECK, LAWRENCE E.;LUCARELLI, MICHAEL A., J. ORG. CHEM., 56,(1991) N3, C. 4095-4096
  作者：EISCH, JOHN J.、HALLENBECK, LAWRENCE E.、LUCARELLI, MICHAEL A.

  DOI：——

  日期：——
• Sulfone reagents in organic synthesis. 8. Cyclobutadiene intermediates in cycloaddition reactions of 1-alkynyl sulfones with 1-alkynylamines
  作者：John J. Eisch、Lawrence E. Hallenbeck、Michael A. Lucarelli

  DOI：10.1021/jo00013a005

  日期：1991.6

  The initially formed product from ynamines, such as diethyl(1-propynl)amine, and 1-alkynyl sulfones is in fact the corresponding cyclobutadiene and not the 2-sulfinyl-4-aminofuran proposed by Himbert. The formation of the cyclobutadiene ring has been established by MS, IR, and H-1 NMR data, as well as by chemical trapping experiments.