dimethyl 1,2-corannulenedicarboxylate | 463327-86-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: dimethyl 1,2-corannulenedicarboxylate
• 英文别名: Dimethyl hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene-2,3-dicarboxylate
• CAS: 463327-86-8
• 化学式: C₂₄H₁₄O₄
• 分子量: 366.373
• InChiKey: RCNGFZVFZCKACN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 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 1,2-corannulenedicarboxylate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Formation of the Corannulene Core by Nickel-Mediated Intramolecular Coupling of Benzyl and Benzylidene Bromides:  A Versatile Synthesis of Dimethyl 1,2-Corannulene Dicarboxylate

  摘要：

  [GRAPHICS]A practical synthesis of dimethyl 1,2-corannulene dicarboxylate (5) is reported, with the final ring-forming step achieved by the double intramolecular nickel powder mediated coupling of benzyl and benzylidene bromide groups with 60% isolated yield.

  DOI：

  10.1021/ol026457q
• 作为产物：
  描述：

  7,10-Bis-bromomethyl-1,6-bis-dibromomethyl-fluoranthene-8,9-dicarboxylic acid dimethyl ester 在 镍 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以60%的产率得到dimethyl 1,2-corannulenedicarboxylate
  参考文献：
  名称：

  Formation of the Corannulene Core by Nickel-Mediated Intramolecular Coupling of Benzyl and Benzylidene Bromides:  A Versatile Synthesis of Dimethyl 1,2-Corannulene Dicarboxylate

  摘要：

  [GRAPHICS]A practical synthesis of dimethyl 1,2-corannulene dicarboxylate (5) is reported, with the final ring-forming step achieved by the double intramolecular nickel powder mediated coupling of benzyl and benzylidene bromide groups with 60% isolated yield.

  DOI：

  10.1021/ol026457q

文献信息

• Formation of the Corannulene Core by Nickel-Mediated Intramolecular Coupling of Benzyl and Benzylidene Bromides:  A Versatile Synthesis of Dimethyl 1,2-Corannulene Dicarboxylate
  作者：Andrzej Sygula、Steven D. Karlen、Renata Sygula、Peter W. Rabideau

  DOI：10.1021/ol026457q

  日期：2002.9.1

  [GRAPHICS]A practical synthesis of dimethyl 1,2-corannulene dicarboxylate (5) is reported, with the final ring-forming step achieved by the double intramolecular nickel powder mediated coupling of benzyl and benzylidene bromide groups with 60% isolated yield.