1-nitro-3-[(2,2,3,3,4,4,5,5-octafluoropentoxy)methyl]benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-nitro-3-[(2,2,3,3,4,4,5,5-octafluoropentoxy)methyl]benzene
• 英文别名: 1-(2,2,3,3,4,4,5,5-octafluoropentoxy)methyl-3-nitrobenzene；1-Nitro-3-(2,2,3,3,4,4,5,5-octafluoropentoxymethyl)benzene
• 化学式: C₁₂H₉F₈NO₃
• 分子量: 367.196
• InChiKey: BNSVAMUQALZMNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  间硝基氯化苄 生成 1-nitro-3-[(2,2,3,3,4,4,5,5-octafluoropentoxy)methyl]benzene
  参考文献：
  名称：

  SIDA, TAKAFUMI;KUBOTA, JOSIKADZU;ITINOSEH, ISAO

  摘要：

  DOI：

文献信息

• Benzyl ether compound and process for producing the same
  申请人：KUREHA KAGAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0279096A2

  公开（公告）日：1988-08-24

  Benzyl ether compounds represented by the general formula (i): wherein R represents a branched alkyl group of from 4 to 8 carbon atoms, a cycloalkyl group of from 4 to 8 carbon atoms, an alkyl group of from 1 to 3 carbon atoms substituted by an alicyclic group of from 3 to 7 carbon atoms, an aralkyl group of from 7 to 9 carbon atoms, an alkyl group of from 2 to 4 carbon atoms substituted by an alkoxy group of from 1 to 4 carbon atoms, an unsaturated alkyl group of from 3 to 6 carbon atoms, a straight-chain alkyl group of from 2 to 8 carbon atoms substituted by from 1 to 15 fluorine atoms or a branched alkyl group of from 3 to 8 carbon atoms substituted by from 1 to 15 fluorine atoms and X represents a nitro group or an amino group; provided that, when X is a nitro group, R is neither an aralkyl group nor an ethyl group substituted by fluorine atom(s); are intermediates useful in the preparation of 1,2,4-triazole-3-carboxamide herbicides.

  通式(i)代表的苄基醚化合物： 其中 R 代表 4 至 8 个碳原子的支链烷基、4 至 8 个碳原子的环烷基、被 3 至 7 个碳原子的脂环基取代的 1 至 3 个碳原子的烷基、7 至 9 个碳原子的芳烷基、被 1 至 4 个碳原子的烷氧基取代的 2 至 4 个碳原子的烷基、3至6个碳原子的不饱和烷基、被1至15个氟原子取代的2至8个碳原子的直链烷基或被1至15个氟原子取代的3至8个碳原子的支链烷基，X代表硝基或氨基；但当 X 为硝基时，R 既不是芳烷基，也不是被氟原子取代的乙基；这些中间体可用于制备 1,2,4-三唑-3-甲酰胺除草剂。
• Features of catalysis in the reaction of polyfluoroalkyl chlorosulfites with saturated monohydric alcohols
  作者：A. I. Rakhimov、A. V. Nalesnaya、R. V. Fisechko

  DOI：10.1134/s1070363208110169

  日期：2008.11

  Synthetic opportunities and mechanism of catalysis of the reaction of polyfluororalkylchlorosulfites with saturated monohydric alcohols are considered. Kinetic measurements and quantum-chemical calculations showed that polyfluoroalkylation of these compounds proceeded through the step of complex formation involving reagents and catalyst followed by liberation of hydrogen chloride and sulfur dioxide and formation of polyfluoroalkyl ethers.
• Reaction of polyfluoroalkyl chlorosulfites with benzyl alcohols
  作者：A. I. Rakhimov、R. V. Fisechko

  DOI：10.1134/s1070363207100258

  日期：2007.10
• SIDA, TAKAFUMI;KUBOTA, JOSIKADZU;ITINOSEH, ISAO
  作者：SIDA, TAKAFUMI、KUBOTA, JOSIKADZU、ITINOSEH, ISAO

  DOI：——

  日期：——
• US5001275A
  申请人：——

  公开号：US5001275A

  公开（公告）日：1991-03-19