Diethyl 4,7-dihydro-2-methoxycarbonylbenzothiophene-5,6-dicarboxylate | 128853-96-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Diethyl 4,7-dihydro-2-methoxycarbonylbenzothiophene-5,6-dicarboxylate
• CAS: 128853-96-3
• 化学式: C₁₆H₁₈O₆S
• 分子量: 338.381
• InChiKey: MCEGRIYQKWZUOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-Methoxycarbonyl-4,6-dihydrothieno<3,4-b>thiophene 5,5-dioxide 、 丁炔二酸二乙酯 以 环丁砜 为溶剂， 反应 3.0h， 以85%的产率得到Diethyl 4,7-dihydro-2-methoxycarbonylbenzothiophene-5,6-dicarboxylate
  参考文献：
  名称：

  杂环稠合的2,5-二氢噻吩S，S-二氧化物作为杂环邻喹啉甲烷的前体

  摘要：

  2,5-Dihydrothiophene 5,5-dioxides 8 and 6 have been obtained by interception of flash-pyrolytically produced 2,3-dihydro-2,3-bis(methylene)thiophene with sulfur dioxide and from methyl 4,5-bischloromethylthiophene-2-carboxylate by reaction with sodium sulfide and oxidation. Pyrazole fused analogues 15 and 16 (R = Me and COPh) were prepared from 3-phenylsulfonyl-2,5-dihydrothiophene S,S-dioxide by cycloaddition

  DOI：

  10.1016/s0040-4020(01)80480-4

文献信息

• The generation of 2,3-dihydro-2,3-bis-(methylene)thiophenes from 4,6-dihydrothieno[3,4-b]thiophene 5,5-dioxides
  作者：A.P.A. Crew、G. Jenkins、R.C. Storr、M. Yelland

  DOI：10.1016/s0040-4039(00)88841-3

  日期：1990.1
• Heterocyclic fused 2,5-dihydrothiophene S,S-dioxides as precursors to heterocyclic o-quinodimethanes
  作者：Lynne M. Chaloner、Andrew P.A. Crew、Paul M. O'Neill、Richard C. Storr、Michael Yelland

  DOI：10.1016/s0040-4020(01)80480-4

  日期：1992.1

  5-bischloromethylthiophene-2-carboxylate by reaction with sodium sulfide and oxidation. Pyrazole fused analogues 15 and 16 (R = Me and COPh) were prepared from 3-phenylsulfonyl-2,5-dihydrothiophene S,S-dioxide by cycloaddition of diazomethane, base induced aromatisation and N-substitution of the sulfone 14. Reaction of 3-acetyl-4-phenylthio-2,5-dihydrothiophene S,S-dioxide with hydrazine and interception of

  2,5-Dihydrothiophene 5,5-dioxides 8 and 6 have been obtained by interception of flash-pyrolytically produced 2,3-dihydro-2,3-bis(methylene)thiophene with sulfur dioxide and from methyl 4,5-bischloromethylthiophene-2-carboxylate by reaction with sodium sulfide and oxidation. Pyrazole fused analogues 15 and 16 (R = Me and COPh) were prepared from 3-phenylsulfonyl-2,5-dihydrothiophene S,S-dioxide by cycloaddition