N-methoxy-N,2,2-trimethyl-6-(4-methyl-N-(3-phenylprop-2-ynyl)phenylsulfonamido)hex-4-ynamide | 1219596-64-1

• 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-methoxy-N,2,2-trimethyl-6-(4-methyl-N-(3-phenylprop-2-ynyl)phenylsulfonamido)hex-4-ynamide
• 英文别名: N-methoxy-N,2,2-trimethyl-6-[(4-methylphenyl)sulfonyl-(3-phenylprop-2-ynyl)amino]hex-4-ynamide
• CAS: 1219596-64-1
• 化学式: C₂₆H₃₀N₂O₄S
• 分子量: 466.601
• InChiKey: IBJMLHVNTBNGLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  75.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-methoxy-N,2,2-trimethyl-6-(4-methyl-N-(3-phenylprop-2-ynyl)phenylsulfonamido)hex-4-ynamide 、 异丙烯基溴化镁 以 四氢呋喃 为溶剂， 反应 5.0h， 以67%的产率得到4-methyl-N-(3-phenylprop-2-ynyl)-N-(5,5,7-trimethyl-6-oxooct-7-en-2-ynyl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis of Unique Scaffolds via Diels−Alder Cycloadditions of Tetrasubstituted Cyclohexadienes

  摘要：

  Diels-Alder cycloadditions of highly substituted cyclohexadienes derived from rhodium-mediated [2 + 2 + 2] cyclizations are reported. Reactive heterodienophiles, including singlet oxygen (O-1(2)), 4-substituted-1,2,4-triazoline-3,5-diones (TADs), and aryl- and acylnitroso compounds were employed, yielding novel heterocyclic products.

  DOI：

  10.1021/ol100318f
• 作为产物：
  描述：

  ethyl 2,2-dimethyl-6-(4-methyl-N-(3-phenylprop-2-ynyl)phenylsulfonamido)hex-4-ynoate 、 二甲羟胺盐酸盐 在 异丙基氯化镁 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到N-methoxy-N,2,2-trimethyl-6-(4-methyl-N-(3-phenylprop-2-ynyl)phenylsulfonamido)hex-4-ynamide
  参考文献：
  名称：

  Synthesis of Unique Scaffolds via Diels−Alder Cycloadditions of Tetrasubstituted Cyclohexadienes

  摘要：

  Diels-Alder cycloadditions of highly substituted cyclohexadienes derived from rhodium-mediated [2 + 2 + 2] cyclizations are reported. Reactive heterodienophiles, including singlet oxygen (O-1(2)), 4-substituted-1,2,4-triazoline-3,5-diones (TADs), and aryl- and acylnitroso compounds were employed, yielding novel heterocyclic products.

  DOI：

  10.1021/ol100318f

文献信息

• Synthesis of Unique Scaffolds via Diels−Alder Cycloadditions of Tetrasubstituted Cyclohexadienes
  作者：Amanda L. Jones、John K. Snyder

  DOI：10.1021/ol100318f

  日期：2010.4.2

  Diels-Alder cycloadditions of highly substituted cyclohexadienes derived from rhodium-mediated [2 + 2 + 2] cyclizations are reported. Reactive heterodienophiles, including singlet oxygen (O-1(2)), 4-substituted-1,2,4-triazoline-3,5-diones (TADs), and aryl- and acylnitroso compounds were employed, yielding novel heterocyclic products.