dimethyl (2Z)-2-(4-ethoxycarbonyl-10-methyl-3-phenyl-5,7-dithia-1-azatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-ylidene)butanedioate | 1372805-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并噻嗪类
• 英文名称: dimethyl (2Z)-2-(4-ethoxycarbonyl-10-methyl-3-phenyl-5,7-dithia-1-azatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-ylidene)butanedioate
• CAS: 1372805-75-8
• 化学式: C₂₅H₂₃NO₆S₂
• 分子量: 497.593
• InChiKey: LVBHJLGIELXRGX-PGMHBOJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  dimethyl (2Z)-2-(4-ethoxycarbonyl-10-methyl-3-phenyl-5,7-dithia-1-azatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-ylidene)butanedioate 生成
  参考文献：
  名称：

  Novel Rearrangements of a 8aH-Pyrido[1,2-d]thieno[2’,3’-b][1,4]thiazepine Derivative

  摘要：

  The reaction of 5-ethoxycarbonyl-3-[1-(4-methylpyridinio)]-4-phenythiopene-2-thiolate with dimethyl acetylenedicarboxylate in refluxing chloroform or tetrahydrofuran afforded the corresponding 10H-pyrrolo[1,2-d]-thieno[2',3'-b][1,4]thiazocines or the 6,8-dithia-2-azatetracyclo[7.3.2.0(2,10)0(3,7)]-tetradeca-Delta(3,7),4,11,13-tetraene derivative. Also, the thermal conversion from the former product to dimethyl (Z)- and (E)-2-[thieno[2',3':2,3][1,4]thiazino-[4,5-a]pyrrol-8-ylidene]succinates was confirmed.

  DOI：

  10.3987/com-11-12398
• 作为产物：
  描述：

  (Z)-ethoxy-[4-(4-methylpyridin-1-ium-1-yl)-3-phenyl-5-sulfanylidenethiophen-2-ylidene]methanolate 以 5,5-dimethyl-1,3-cyclohexadiene 、 二氯甲烷 为溶剂， 反应 58.0h， 生成 、 dimethyl (2Z)-2-(4-ethoxycarbonyl-10-methyl-3-phenyl-5,7-dithia-1-azatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-ylidene)butanedioate
  参考文献：
  名称：

  Novel Rearrangements of a 8aH-Pyrido[1,2-d]thieno[2’,3’-b][1,4]thiazepine Derivative

  摘要：

  The reaction of 5-ethoxycarbonyl-3-[1-(4-methylpyridinio)]-4-phenythiopene-2-thiolate with dimethyl acetylenedicarboxylate in refluxing chloroform or tetrahydrofuran afforded the corresponding 10H-pyrrolo[1,2-d]-thieno[2',3'-b][1,4]thiazocines or the 6,8-dithia-2-azatetracyclo[7.3.2.0(2,10)0(3,7)]-tetradeca-Delta(3,7),4,11,13-tetraene derivative. Also, the thermal conversion from the former product to dimethyl (Z)- and (E)-2-[thieno[2',3':2,3][1,4]thiazino-[4,5-a]pyrrol-8-ylidene]succinates was confirmed.

  DOI：

  10.3987/com-11-12398

文献信息

• Novel Rearrangements of a 8aH-Pyrido[1,2-d]thieno[2’,3’-b][1,4]thiazepine Derivative
  作者：Akikazu Kakehi、Kennosuke Itoh、Hiroyuki Suga、Yuuki Ohkubo、Ayaka Kobayashi、Takashi Nishi

  DOI：10.3987/com-11-12398

  日期：——

  The reaction of 5-ethoxycarbonyl-3-[1-(4-methylpyridinio)]-4-phenythiopene-2-thiolate with dimethyl acetylenedicarboxylate in refluxing chloroform or tetrahydrofuran afforded the corresponding 10H-pyrrolo[1,2-d]-thieno[2',3'-b][1,4]thiazocines or the 6,8-dithia-2-azatetracyclo[7.3.2.0(2,10)0(3,7)]-tetradeca-Delta(3,7),4,11,13-tetraene derivative. Also, the thermal conversion from the former product to dimethyl (Z)- and (E)-2-[thieno[2',3':2,3][1,4]thiazino-[4,5-a]pyrrol-8-ylidene]succinates was confirmed.