1-Methyl-2-nitrocyclopentene | 40523-90-8

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-Methyl-2-nitrocyclopentene
• CAS: 40523-90-8
• 化学式: C₆H₉NO₂
• 分子量: 127.143
• InChiKey: FFVIVHCQMKSHMP-UHFFFAOYSA-N

物化性质

• 沸点：
  204.4±10.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Methyl-2-nitrocyclopentene 在 丙烯酸甲酯（MA） 作用下， 以 苯 为溶剂， 反应 2.5h， 生成 N,N,O-tri(1-methyl-2-oxocyclopentyl)hydroxylamine
  参考文献：
  名称：

  Grant, Richard D.; Pinhey, John T., Australian Journal of Chemistry, 1984, vol. 37, # 6, p. 1231 - 1244

  摘要：

  DOI：
• 作为产物：
  描述：

  1-甲基环戊烯 在 氧气 、 dinitrogen tetraoxide 、 三乙胺 作用下， 生成 1-Methyl-2-nitrocyclopentene
  参考文献：
  名称：

  Grant, Richard D.; Pinhey, John T., Australian Journal of Chemistry, 1984, vol. 37, # 6, p. 1231 - 1244

  摘要：

  DOI：

文献信息

• 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor
  申请人：Mizojiri Ryo

  公开号：US20090036444A1

  公开（公告）日：2009-02-05

  The present invention relates to a fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由以下式[I]表示的融合环化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明的化合物基于HCV聚合酶抑制活性具有抗HCV活性，是一种预防或治疗丙型肝炎的药剂。
• 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR
  申请人：Mizojiri Ryo

  公开号：US20120020920A1

  公开（公告）日：2012-01-26

  The present invention relates to a fused ring compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable a salt thereof, and a hepatitis C virus (HCV) polymerase inhibitor and a therapeutic agent for hepatitis C containing this compound. The compound of the present invention shows an anti-HCV activity based on the HCV polymerase inhibitory activity, and useful as an agent for the prophylaxis or treatment of hepatitis C.

  本发明涉及一种由以下式[I]所表示的融合环化合物，其中每个符号如规范中所定义，或其药学上可接受的盐，以及一种丙型肝炎病毒（HCV）聚合酶抑制剂和治疗丙型肝炎的药物，本发明化合物基于HCV聚合酶抑制活性具有抗HCV活性，可用作预防或治疗丙型肝炎的药剂。
• Reactivity of .alpha.-nitro ketones toward organometallic reagents: straightforward synthesis of tertiary .beta.-nitroalkanols
  作者：Roberto Ballini、Giuseppe Bartoli、Pierluigi V. Gariboldi、Enrico Marcantoni、Marino Petrini

  DOI：10.1021/jo00064a025

  日期：1993.6

  Tertiary beta-nitro alcohols can be efficiently obtained from the reaction of a-nitro ketones with 2 equiv of an organomagnesium or organolithium reagent. Unexpectedly, Grignard reagents do not deprotonate the alpha acidic proton of 2 but instead strongly coordinate with the carbonyl and the nitro oxygens. A second equivalent of reagent is thus necessary to carry out the addition. Magnesium reagents fail to react with open-chain alpha-nitro ketones because a rapid deprotonation occurs, and Grignard reagents are unable to attack monoanion 1. Organolithiums are stronger nucleophiles than organomagnesium reagents and can attack deprotonated substrates. The diastereoselectivity of the reaction depends on the reagent used. Grignard reagents produced almost exclusively trans nitroalkanols with 2, whereas organolithiums show little or no selectivity with the same substrate. Conversely, lithium reagents show excellent stereoselectivity with open-chain substrates and affords the anti diastereomer.
• Piotrowska,H., Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1972, vol. 20, p. 1021 - 1027
  作者：Piotrowska,H.

  DOI：——

  日期：——
• GRANT, R. D.;PINHEY, J. T., AUSTRAL. J. CHEM., 1984, 37, N 6, 1231-1244
  作者：GRANT, R. D.、PINHEY, J. T.

  DOI：——

  日期：——