4,6-Dihydro-1-methylthieno<3,4-d>pyrazole 5,5-dioxide | 139125-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,6-Dihydro-1-methylthieno<3,4-d>pyrazole 5,5-dioxide
• 英文别名: 1-Methyl-4,6-dihydrothieno[3,4-c]pyrazole 5,5-dioxide
• CAS: 139125-00-1
• 化学式: C₆H₈N₂O₂S
• 分子量: 172.208
• InChiKey: VTWWJJCDTOBZPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,5-二甲基-1H-吡唑-4-羧酸乙酯 在 lithium aluminium tetrahydride 、 二氧化硫 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.33h， 生成 4,6-Dihydro-1-methylthieno<3,4-d>pyrazole 5,5-dioxide
  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

• A new route to heterocyclic fused 2,5-dihydrothiophene S,S-dioxides: formation of pyrazole analogues of o-xylylenes
  作者：Lynne M. Chaloner、Andrew P.A. Crew、Richard C. Storr、Michael Yelland

  DOI：10.1016/0040-4039(91)80547-j

  日期：1991.12

  Addition of diazomethane to 3-phenylsulphonyl-2,5-dihydrothiophene S,S-dioxide 3, followed by base induced aromatisation gives the sulphone 7, a precursor to pyrazole analogues of o-quinodimethane).

  将重氮甲烷添加到3-苯基磺酰基-2,5-二氢噻吩S，S-二氧化物3中，然后进行碱诱导的芳构化，得到砜7，这是邻-喹二甲烷的吡唑类似物的前体。
• 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