6-[(4-carboxy-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrol-6-yl)-phenylmethyl]-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrole-4-carboxylic acid | 850424-49-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 6-[(4-carboxy-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrol-6-yl)-phenylmethyl]-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrole-4-carboxylic acid
• CAS: 850424-49-6
• 化学式: C₂₁H₁₈N₂O₈S₂
• 分子量: 490.515
• InChiKey: CVVSIFQVLCIDLV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-[(4-carboxy-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrol-6-yl)-phenylmethyl]-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrole-4-carboxylic acid 在 三氟乙酸 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Sulfolenoporphyrins: synthons for refunctionalization of porphyrins

  摘要：

  Using sulfolenopyrroles (4) and (11) methods are developed for the synthesis of opp- (15,18,19) and adj- (25) bis-sulfolenoporphyrins,- such compounds are useful building blocks for the refunctionalization of the porphyrin system, and readily undergo Diels-Alder cycloaddition reactions. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.154
• 作为产物：
  描述：

  benzyl 6-[(2,2-dioxo-4-phenylmethoxycarbonyl-3,5-dihydro-1H-thieno[3,4-c]pyrrol-6-yl)-phenylmethyl]-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrole-4-carboxylate 以95%的产率得到6-[(4-carboxy-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrol-6-yl)-phenylmethyl]-2,2-dioxo-3,5-dihydro-1H-thieno[3,4-c]pyrrole-4-carboxylic acid
  参考文献：
  名称：

  Sulfolenoporphyrins: synthons for refunctionalization of porphyrins

  摘要：

  Using sulfolenopyrroles (4) and (11) methods are developed for the synthesis of opp- (15,18,19) and adj- (25) bis-sulfolenoporphyrins,- such compounds are useful building blocks for the refunctionalization of the porphyrin system, and readily undergo Diels-Alder cycloaddition reactions. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.154