methyl (1RS,7RS,13RS)-1,4,7,13-tetramethyl-10-[(4-methyl(benzene)sulfonyl)]-3,5-dioxo-2,4,6,10-tetraazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-8(12)-ene-13-carboxylate

• 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 (1RS,7RS,13RS)-1,4,7,13-tetramethyl-10-[(4-methyl(benzene)sulfonyl)]-3,5-dioxo-2,4,6,10-tetraazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-8(12)-ene-13-carboxylate
• 英文别名: methyl (1S,7S,13S)-1,4,7,13-tetramethyl-10-(4-methylphenyl)sulfonyl-3,5-dioxo-2,4,6,10-tetrazatetracyclo[5.5.2.02,6.08,12]tetradec-8(12)-ene-13-carboxylate
• 化学式: C₂₃H₂₈N₄O₆S
• 分子量: 488.565
• InChiKey: HBNUSFYWQQJYEL-VJBWXMMDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 4,6,7-trimethyl-2-tosyl-2,3,5,6-tetrahydro-1H-isoindole-5-carboxylate 、 4-甲基-1,2,4-三吖啉-3,5-二酮 以 二氯甲烷 为溶剂， 反应 0.75h， 以74%的产率得到methyl (1RS,7RS,13RS)-1,4,7,13-tetramethyl-10-[(4-methyl(benzene)sulfonyl)]-3,5-dioxo-2,4,6,10-tetraazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-8(12)-ene-13-carboxylate
  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.