4,5-bis-(5-bromo-thiophene-2-carbonyl)-phthalic acid diethyl ester | 1198206-44-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-bis-(5-bromo-thiophene-2-carbonyl)-phthalic acid diethyl ester
• 英文别名: Diethyl 4,5-bis(5-bromothiophene-2-carbonyl)benzene-1,2-dicarboxylate
• CAS: 1198206-44-8
• 化学式: C₂₂H₁₆Br₂O₆S₂
• 分子量: 600.305
• InChiKey: OHIOLUYPMNMSEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4,5-bis-(5-bromo-thiophene-2-carbonyl)-phthalic acid diethyl ester 在 吡啶 、 tetraphosphorus decasulfide 作用下， 反应 0.33h， 以20 mg的产率得到diethyl 1,3-bis(5-bromothiophen-2-yl)benzo[c]thiophene-5,6-dicarboxylate
  参考文献：
  名称：

  Synthesis of Benzo[c] and Naphtho[c]heterocycle Diesters and Dinitriles via Homoelongation

  摘要：

  Syntheses of benzo[c] and naphtho[c]heterocycle diesters and dinitriles were achieved via our newly developed iterative elongation protocol. The photophysical and electrochemical properties of these conjugated systems are explored.

  DOI：

  10.1021/jo901754w
• 作为产物：
  描述：

  diethyl 1,3-bis(5-bromothiophen-2-yl)isobenzofuran-5,6-dicarboxylate 在 氧气 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 4,5-bis-(5-bromo-thiophene-2-carbonyl)-phthalic acid diethyl ester
  参考文献：
  名称：

  Synthesis of Benzo[c] and Naphtho[c]heterocycle Diesters and Dinitriles via Homoelongation

  摘要：

  Syntheses of benzo[c] and naphtho[c]heterocycle diesters and dinitriles were achieved via our newly developed iterative elongation protocol. The photophysical and electrochemical properties of these conjugated systems are explored.

  DOI：

  10.1021/jo901754w

文献信息

• Synthesis of Benzo[<i>c</i>] and Naphtho[<i>c</i>]heterocycle Diesters and Dinitriles via Homoelongation
  作者：Dong-Tsou Hsu、Chih-Hsiu Lin

  DOI：10.1021/jo901754w

  日期：2009.12.4

  Syntheses of benzo[c] and naphtho[c]heterocycle diesters and dinitriles were achieved via our newly developed iterative elongation protocol. The photophysical and electrochemical properties of these conjugated systems are explored.