C-(2-methoxyphenyl)-N-tert-butylnitrone | 130995-65-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: C-(2-methoxyphenyl)-N-tert-butylnitrone
• 英文别名: N-tert-butyl-1-(2-methoxyphenyl)methanimine oxide
• CAS: 130995-65-2
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: XUQNWRGNSVUNSG-LCYFTJDESA-N

物化性质

• 熔点：
  68-69 °C
• 沸点：
  331.4±44.0 °C(Predicted)
• 密度：
  1.021±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  38
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基-2-硝基丙烷 、 邻甲氧基苯甲醛 在 溶剂黄146 、 锌 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以97%的产率得到C-(2-methoxyphenyl)-N-tert-butylnitrone
  参考文献：
  名称：

  Synthesis and characterization of phenyl-substituted C-phenyl-N-tert-butylnitrones and some of their radical adducts

  摘要：

  Synthesis of C-phenyl-N-tert-butylnitrone (PBN) and several of its analogues with substituents in the 2-, 3-, or 4-position on the phenyl ring is described. While a one-pot reduction/condensation method proved suitable for most compounds, it was necessary to prepare some examples by direct condensation or through oxidation of the appropriate imine. The H-1 NMR data for the 3-X- and 4-X-PBN's can be correlated with the Hammett equation. For the 3-X series DELTA-delta for the alpha-proton correlates best with sigma(+) and has a correlation coefficient of 0.90. For the 4-X series a dual substituent parameter equation using sigma(R)0 gives the best correlation with r = 0.99. The hyperfine splitting constants (hfsc's) of the HO. and HOO. adducts of several substituted PBN's are also included and their correlation with the Hammett equation is discussed.

  DOI：

  10.1021/jo00035a020

文献信息

• Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same
  申请人：Kelleher A. Judith

  公开号：US20050124691A1

  公开（公告）日：2005-06-09

  Disclosed are novel α-aryl-N-alkylnitrone compounds and pharmaceutical compositions containing such compounds. The disclosed compositions are useful as therapeutics for preventing and/or treating neurodegenerative, autoimmune and inflammatory conditions in mammals and as analytical reagents for detecting free radicals.

  本发明涉及一种新型的α-芳基-N-烷基亚硝基化合物和含有这种化合物的药物组合物。所述组合物可用作治疗哺乳动物神经退行性、自身免疫和炎症疾病的治疗剂，并可用作检测自由基的分析试剂。
• NITRONE DERIVATIVES
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP0945426A1

  公开（公告）日：1999-09-29

  A compound represented by the figure (1) or a pharmaceutically acceptable salt thereof is useful as a medicament for treating retinal degenerative disorders: wherein Ar is optionally substituted phenyl or optionally substituted heteroaryl;. n is 0, 1 or 2; W is -CH2NH- or -CH=N(O)-; R1, R2 and R3 are independently optionally substituted alkyl, carboxyl or alkoxycarbonyl; any two groups of R1, R2 and R3 may be taken together with the carbon atom to form optionally substituted cycloalkane; all of R1, R2 and R3 may be taken together with the adjusent carbon atom to form optionally substituted bicycloalkane or optionally substituted tricycloalkane; R4 and R5 are independently hydrogen atom or optionally substituted alkyl.

  图（1）所代表的化合物或其药学上可接受的盐可作为治疗视网膜变性疾病的药物： 其中 Ar 是任选取代的苯基或任选取代的杂芳基；. n 是 0、1 或 2； W是-CH2NH-或-CH=N(O)-； R1、R2 和 R3 独立地是任选取代的烷基、羧基或烷氧基羰基；R1、R2 和 R3 中的任意两个基团可与碳原子结合形成任选取代的环烷；所有 R1、R2 和 R3 可与相邻碳原子结合形成任选取代的双环烷或任选取代的三环烷； R4 和 R5 独立地为氢原子或任选取代的烷基。
• $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：Renovis, Inc.

  公开号：EP1025079B1

  公开（公告）日：2005-02-02
• US6046232A
  申请人：——

  公开号：US6046232A

  公开（公告）日：2000-04-04
• US6194461B1
  申请人：——

  公开号：US6194461B1

  公开（公告）日：2001-02-27