5-nitro-octan-2-one | 7404-84-4

• 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: 5-nitro-octan-2-one
• 英文别名: 5-Nitrooctan-2-one
• CAS: 7404-84-4
• 化学式: C₈H₁₅NO₃
• 分子量: 173.212
• InChiKey: PYDLGEHDOLTNOA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-硝基-2-戊酮 在 吡啶 、 二氢吡啶 、 silica gel 、 sodium carbonate 、 三乙胺 作用下， 以 苯 为溶剂， 反应 24.5h， 生成 5-nitro-octan-2-one
  参考文献：
  名称：

  A Highly Chemoselective Reduction of Conjugated Nitro Olefins with Hantzsch Ester in the Presence of Silica Gel

  摘要：

  描述了一种有效的系统，用于将共轭硝基烯烃还原为相应的硝基烷烃。该系统由Hantzsch酯（HEH）和硅胶在苯中组成，在几乎中性的条件下表现出高产率和优异的化学选择性。还描述了该系统在自然产品合成中的简便应用。

  DOI：

  10.1246/bcsj.61.4029

文献信息

• Ims detection of chemical markers in petroleum products
  申请人：Authentix, Inc.

  公开号：EP2264130A2

  公开（公告）日：2010-12-22

  A method and composition for identifying chemically tagged petroleum products can be achieved by adding one or more chemicals to a selected petroleum product wherein the chemical is immune to extraction from the petroleum product by conventional inexpensive absorbents, cannot be removed by extraction with acids, bases, or immiscible solvents, cannot be easily oxidized, reduced or reacted with common agents, is difficult to disguise by masking with other agents, has a low polarity, and has a boiling pint in the range of the petroleum product the chemical is being added to. The presence of the chemical is determined by using ion mobility to spectroscopy.

  通过向选定的石油产品中添加一种或多种化学物质，可以实现识别化学标记石油产品的方法和组合物，其中的化学物质不会被传统的廉价吸收剂从石油产品中萃取出来，不能被酸、碱或不溶性溶剂萃取去除，不容易被氧化、还原或与普通制剂发生反应，难以用其他制剂掩盖，极性低，沸点在所添加化学物质的石油产品范围内。化学品的存在是通过离子迁移率和光谱来确定的。
• IMS detection of chemical markers in petroleum products
  申请人：——

  公开号：US20040147413A1

  公开（公告）日：2004-07-29

  A method and composition for identifying chemically tagged petroleum products can be achieved by adding one or more chemicals to a selected petroleum product wherein the chemical is immune to extraction from the petroleum product by conventional inexpensive absorbents, cannot be removed by extraction with acids, bases, or immiscible solvents, cannot be easily oxidized, reduced or reacted with common agents, is difficult to disguise by masking with other agents, has a low polarity, and has a boiling point in the range of the petroleum product the chemical is being added to. The presence of the chemical is determined by using ion mobility spectroscopy.

  通过向选定的石油产品中添加一种或多种化学物质，可以实现识别化学标记石油产品的方法和组合物，其中的化学物质不会被传统的廉价吸收剂从石油产品中萃取出来，不能被酸、碱或不溶性溶剂萃取去除，不易被氧化、还原或与普通制剂发生反应，难以用其他制剂掩盖，极性低，沸点在所添加化学物质的石油产品范围内。使用离子迁移率光谱法确定化学品的存在。
• Michael Type Additions with Nitroparaffins.¹ A Convenient Route to Nitrocyclohexanols
  作者：HENRY FEUER、RONALD HARMETZ

  DOI：10.1021/jo01063a022

  日期：1961.4
• Use of heterogeneous catalyst KG-60-NEt2 in Michael and Henry reactions involving nitroalkanes
  作者：Roberto Ballini、Giovanna Bosica、Damiana Livi、Alessandro Palmieri、Raimondo Maggi、Giovanni Sartori

  DOI：10.1016/s0040-4039(03)00274-0

  日期：2003.3

  The N,N-diethylpropylamine supported on amorphous silica (KG-60-NEt2) catalyses the formation of carbon-carbon bonds by nitroalkanes through both the nitroaldol (Henry) and Michael reactions. The catalyst shows general utility with a variety of electrophilic acceptors. Moreover, the catalyst can be reused for two further cycles without loss of the activity. (C) 2003 Published by Elsevier Science Ltd.
• FUJII, MASAYUKI, BULL. CHEM. SOC. JAP., 61,(1988) N1, C. 4029-4035
  作者：FUJII, MASAYUKI

  DOI：——

  日期：——