methylsulfonyl-2 nitro-4 thiophene | 86369-98-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: methylsulfonyl-2 nitro-4 thiophene
• 英文别名: InChI=1/C5H5NO4S2/c1-12(9,10)5-2-4(3-11-5)6(7)8/h2-3H,1H；2-methylsulfonyl-4-nitrothiophene
• CAS: 86369-98-4
• 化学式: C₅H₅NO₄S₂
• 分子量: 207.231
• InChiKey: YXOPNKNFBNOZIO-UHFFFAOYSA-N

物化性质

• 沸点：
  430.7±45.0 °C(Predicted)
• 密度：
  1.563±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  117
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methylsulfonyl-2 nitro-4 thiophene 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Arnone, Caterina; Consiglio, Giovanni; Spinelli, Domenico, Journal of the Chemical Society. Perkin transactions II, 1989, p. 1609 - 1612

  摘要：

  DOI：
• 作为产物：
  描述：

  bromo-5 nitro-4 methylsulfonyl-2 thiophene 在 甲酸 、 铜 作用下， 生成 methylsulfonyl-2 nitro-4 thiophene
  参考文献：
  名称：

  Hurtel, Patrice; Decroix, Bernard; Morel, Jean, Journal of Chemical Research, Miniprint, 1983, # 3, p. 725 - 754

  摘要：

  DOI：

文献信息

• Ring opening of 2-substituted 4-nitrothiophenes with pyrrolidine. Access to new functionalized nitro-unsaturated building blocks
  作者：Carlo Dell'Erba、Antonella Gabellini、Marino Novi、Giovanni Petrillo、Cinzia Tavani、Barbara Cosimelli、Domenico Spinelli

  DOI：10.1016/s0040-4020(01)00765-7

  日期：2001.9

  The reaction conditions of the ring-opening processes of 3-nitrothiophene 7a and of 3-nitrobenzo[b]thiophene 7b with pyrrolidine and silver nitrate were optimized as well as those of the subsequent S-methylation of the ensuing silver enethiolates 8a and 8b to 4-methylthio-2-nitro-1-pyrrolidino-1,3-butadiene 9a and 1-(2-methylthiophenyl)-1-nitro-2-pyrrolidinoethylene 9b. Under such conditions 2-X-substituted 4-nitrothiophenes 7c-i consistently gave good yields of the corresponding 4-methylthio-2-nitro-1-pyrrolidino-4-X-1,3-butadienes 9c-i. The nitroenamine derivatives 9a-i were then reacted with p-tolylmagnesium bromide to furnish moderate to good yields of 4-methylthio-2-nitro-1-(p-tolyl)-4-X-1,3-butadienes 10a,c-i and 1-(2-methylthiophenyl)-1-nitro-2-(p-tolyl)ethylene 10b. Stereochemistry of the interesting building blocks 9a-i and 10a-i was assigned on the grounds of H-1 NMR data and NOE experiments. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Dell'Erba, Carlo; Sancassan, Fernando; Novi, Marino, Journal of the Chemical Society. Perkin transactions II, 1991, # 10, p. 1631 - 1636
  作者：Dell'Erba, Carlo、Sancassan, Fernando、Novi, Marino、Spinelli, Domenico、Consiglio, Giovanni

  DOI：——

  日期：——
• Hurtel, Patrice; Decroix, Bernard; Morel, Jean, Journal of Chemical Research, Miniprint, 1983, # 3, p. 725 - 754
  作者：Hurtel, Patrice、Decroix, Bernard、Morel, Jean、Terrier, Francois

  DOI：——

  日期：——
• Arnone, Caterina; Consiglio, Giovanni; Spinelli, Domenico, Journal of the Chemical Society. Perkin transactions II, 1989, p. 1609 - 1612
  作者：Arnone, Caterina、Consiglio, Giovanni、Spinelli, Domenico、Dell'Erba, Carlo、Sancassan, Fernando、Terrier, Francois

  DOI：——

  日期：——

表征谱图