dimethyl 2,3,5,8-tetrahydro-1H-cyclopenta[g]naphthalene-6,7-dicarboxylate | 1173020-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: dimethyl 2,3,5,8-tetrahydro-1H-cyclopenta[g]naphthalene-6,7-dicarboxylate
• CAS: 1173020-01-3
• 化学式: C₁₇H₁₈O₄
• 分子量: 286.328
• InChiKey: WUGSZBYKMFUKMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl 2,3,5,8-tetrahydro-1H-cyclopenta[g]naphthalene-6,7-dicarboxylate 在 manganese(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 60.0h， 以96%的产率得到dimethyl 2,3-dihydro-1H-cyclopenta[g]naphthalene-6,7-dicarboxylate
  参考文献：
  名称：

  Differential Reactivity Pattern of Hybrid o-Quinodimethane Precursors: Strategic Expansion to Annulated Benzocycloalkanes via Rongalite

  摘要：

  A hybrid benzocyclobutene (BCB) molecular frames embedding sultine or sulfone moiety has been synthesized via utilization of rongalite. The selective Diels-Alder reaction has been realized at sultine or sulfone terminus in the hybrid BCB system to prepare functionalized BCB molecular frames. The methodology has been generalized for assembling various benzocycloalkanes containing a sultine unit and the strategy has been expanded to generate various annulated benzocycloalkanes.

  DOI：

  10.1021/jo900658z
• 作为产物：
  描述：

  4,6,7,8-tetrahydro-1H-cyclopenta[g][2,3]benzoxathiine 3-oxide 、 丁炔二酸二甲酯 以 甲苯 为溶剂， 反应 24.0h， 以15%的产率得到dimethyl 2,3,5,8-tetrahydro-1H-cyclopenta[g]naphthalene-6,7-dicarboxylate
  参考文献：
  名称：

  Differential Reactivity Pattern of Hybrid o-Quinodimethane Precursors: Strategic Expansion to Annulated Benzocycloalkanes via Rongalite

  摘要：

  A hybrid benzocyclobutene (BCB) molecular frames embedding sultine or sulfone moiety has been synthesized via utilization of rongalite. The selective Diels-Alder reaction has been realized at sultine or sulfone terminus in the hybrid BCB system to prepare functionalized BCB molecular frames. The methodology has been generalized for assembling various benzocycloalkanes containing a sultine unit and the strategy has been expanded to generate various annulated benzocycloalkanes.

  DOI：

  10.1021/jo900658z

文献信息

• Differential Reactivity Pattern of Hybrid <i>o</i>-Quinodimethane Precursors: Strategic Expansion to Annulated Benzocycloalkanes via Rongalite
  作者：Sambasivarao Kotha、Priti Khedkar

  DOI：10.1021/jo900658z

  日期：2009.8.7

  A hybrid benzocyclobutene (BCB) molecular frames embedding sultine or sulfone moiety has been synthesized via utilization of rongalite. The selective Diels-Alder reaction has been realized at sultine or sulfone terminus in the hybrid BCB system to prepare functionalized BCB molecular frames. The methodology has been generalized for assembling various benzocycloalkanes containing a sultine unit and the strategy has been expanded to generate various annulated benzocycloalkanes.