2-(2-甲基丙-1-烯-1-基)-5-硝基噻吩 | 74786-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 2-(2-甲基丙-1-烯-1-基)-5-硝基噻吩
• 英文名称: 2-isopropylidenemethyl-5-nitrothiophene
• 英文别名: 2-(2-methyl-propenyl)-5-nitro-thiophene；2-(2-Methylprop-1-enyl)-5-nitrothiophen；2-(2-Methylprop-1-enyl)-5-nitrothiophene
• CAS: 74786-70-2
• 化学式: C₈H₉NO₂S
• 分子量: 183.231
• InChiKey: KSLWMGPYMZJMQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  74.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氯甲基-5-硝基噻吩 、 2-lithio-2-nitropropane 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以71%的产率得到2-(2-甲基丙-1-烯-1-基)-5-硝基噻吩
  参考文献：
  名称：

  New 2-alkylidenemethyl-5-nitrothiophenes: preparation via SRN1 reactions and in vitro antiprotozoan activity

  摘要：

  The reaction of 2-chloromethyl-5-nitrothiophene with the 2-nitropropane anion has been reinvestigated and extended to various nitronate anions to afford good yields of new 5-nitrothiophenes bearing a trisubstituted ethylenic double bond at the 2-position. These compounds were evaluated as potential antiprotozoan agents and some derivatives were found to have the same activity as that of reference compounds.

  DOI：

  10.1016/0223-5234(94)90124-4

文献信息

• NEWCOMBE P. J.; NORRIS R. K., AUSTRAL. J. CHEM., 1979, 32, NO 12, 2647-2658
  作者：NEWCOMBE P. J.、 NORRIS R. K.

  DOI：——

  日期：——
• New 2-alkylidenemethyl-5-nitrothiophenes: preparation via SRN1 reactions and in vitro antiprotozoan activity
  作者：P Vanelle、S Ghezali、J Maldonado、MP Crozet、F Delmas、M Gasquet、P Timon-David

  DOI：10.1016/0223-5234(94)90124-4

  日期：1994.1

  The reaction of 2-chloromethyl-5-nitrothiophene with the 2-nitropropane anion has been reinvestigated and extended to various nitronate anions to afford good yields of new 5-nitrothiophenes bearing a trisubstituted ethylenic double bond at the 2-position. These compounds were evaluated as potential antiprotozoan agents and some derivatives were found to have the same activity as that of reference compounds.