anti-p-tolylglyoxime | 86329-49-9

• 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: anti-p-tolylglyoxime
• 英文别名: p-tolylglyoxal-di-((E)-oxime )；p-Tolylglyoxal-di-((E)-oxim)；p-Tolylglyoxal-di-seqtrans-oxim；β-p-Tolylglyoxim；4-methylphenylglyoxime；(NE)-N-[(2E)-2-hydroxyimino-1-(4-methylphenyl)ethylidene]hydroxylamine
• CAS: 86329-49-9
• 化学式: C₉H₁₀N₂O₂
• 分子量: 178.191
• InChiKey: WOFZZCGLXRAPRP-QCOLZXCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  65.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  anti-p-tolylglyoxime 在 氯仿 、 氯 作用下， 生成 chloro-p-tolylglyoxime
  参考文献：
  名称：

  Ponzio; Perolio, Gazzetta Chimica Italiana, 1925, vol. 55, p. 691

  摘要：

  DOI：
• 作为产物：
  描述：

  p-tolylglyoxalmonoxime 在 乙醇 、 盐酸羟胺 、 sodium acetate 作用下， 生成 anti-p-tolylglyoxime
  参考文献：
  名称：

  Avogadro, Gazzetta Chimica Italiana, 1923, vol. 53, p. 703

  摘要：

  DOI：

文献信息

• Processes for producing 1-substituted-2-cyanoimidazole compounds
  申请人：Ishihara Sangyo Kaisha, Ltd.

  公开号：US05869683A1

  公开（公告）日：1999-02-09

  A process for producing 1-substituted-2-cyanoimidazole compounds is described, which comprises (1) undergoing a reaction of a compound represented by formula (IV), hydroxylamine or a mineral acid salt thereof, and glyoxal or glyoxime to produce a compound represented by formula (III), (2) undergoing a reaction of the compound represented by formula (III) with thionyl chloride or thionyl bromide in the presence of N,N-dialkylamide to produce a reaction mixture, and then reacting the produced reaction mixture with sulfur chloride to produce a 2-cyanoimidazole compound represented by formula (II), and (3) undergoing a sulfamoylation reaction and an isomerization reaction of the 2-cyanoimidazole compound represented by formula (II) and a compound represented by formula (V) in the presence of at least one base selected from carbonates of alkali metals and bicarbonates of alkali metals and a polar solvent to produce a 1-substituted-2-cyanoimidazole compound represented by formula (I-b). The formulae and substituents formulae are specifically defined in the specification. ##STR1##

  本发明涉及一种制备1-取代基-2-氰基咪唑化合物的方法，包括以下步骤：(1)将式(IV)的化合物、羟胺或其矿酸盐和丙二醛或丙二酮肟反应，得到式(III)的化合物；(2)在N，N-二烷基酰胺的存在下，将式(III)的化合物与氯化硫酰或溴化硫酰反应，得到反应混合物，然后将所得的反应混合物与氯化硫反应，得到式(II)的2-氰基咪唑化合物；(3)在至少选择碱金属碳酸盐和碱金属氢碳酸盐及极性溶剂的存在下，使式(II)的2-氰基咪唑化合物与式(V)的化合物经过磺酰化反应和异构化反应，得到式(I-b)的1-取代基-2-氰基咪唑化合物。其中，具体的化学式和取代基化学式在说明书中有具体定义。
• Process for producing 1-substituted-2-cyanoimidazole compounds
  申请人：ISHIHARA SANGYO KAISHA LTD.

  公开号：EP0705823A1

  公开（公告）日：1996-04-10

  A process for producing 1-substituted-2-cyanoimidazole compounds is described, which comprises (1) undergoing a reaction of a compound represented by formula (IV), hydroxylamine or a mineral acid salt thereof, and glyoxal or glyoxime to produce a compound represented by formula (III), (2) undergoing a reaction of the compound represented by formula (III) with thionyl chloride or thionyl bromide in the presence of N,N-dialkylamide to produce a reaction mixture, and then reacting the produced reaction mixture with sulfur chloride to produce a 2-cyanoimidazole compound represented by formula (II), and (3) undergoing a sulfamoylation reaction and an isomerization reaction of the 2-cyanoimidazole compound represented by formula (II) and a compound represented by formula (V) in the presence of at least one base selected from carbonates of alkali metals and bicarbonates of alkali metals and a polar solvent to produce a 1-substituted-2-cyanoimidazole compound represented by formula (I-b). The substituents in formulae are specifically defined in the specification.         Hal-SO₂N(R¹)R   (V)

  本发明描述了一种生产 1-取代-2-氰基咪唑化合物的工艺，该工艺包括：(1) 将式(IV)代表的化合物、羟胺或其矿物酸盐与乙二醛或乙二醛肟反应，生成式(III)代表的化合物；(2) 在 N,N-二烷基酰胺存在下，将式(III)代表的化合物与亚硫酰氯或亚硫酰溴反应，生成反应混合物、然后将生成的反应混合物与氯化硫反应，生成由式（II）代表的 2-氰基咪唑化合物、和 (3) 在至少一种选自碱金属碳酸盐和碱金属碳酸氢盐的碱和极性溶剂存在下，使式 (II) 所代表的 2-氰基咪唑化合物和式 (V) 所代表的化合物发生氨基磺酰化反应和异构化反应，生成式 (I-b) 所代表的 1-取代基-2-氰基咪唑化合物。式中的取代基在说明书中有具体定义。 Hal-SO₂N(R¹)R (V)
• Meester, Johan W. G. De; Plas, Henk C. van der; Middelhoven, Wouter J., Journal of Heterocyclic Chemistry, 1987, vol. 24, p. 441 - 451
  作者：Meester, Johan W. G. De、Plas, Henk C. van der、Middelhoven, Wouter J.

  DOI：——

  日期：——
• Milone, Gazzetta Chimica Italiana, 1933, vol. 63, p. 744,746
  作者：Milone

  DOI：——

  日期：——
• Durio, Gazzetta Chimica Italiana, 1935, vol. 65, p. 89,92
  作者：Durio

  DOI：——

  日期：——