2-甲基-1-苯基-4,5-二氢咪唑 | 41817-83-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-甲基-1-苯基-4,5-二氢咪唑
• 英文名称: 1-phenyl-2-methyl-1H-4,5-dihydroimidazole
• 英文别名: 2-methyl-1-phenyl-4,5-dihydro-1H-imidazole；2-methyl-1-phenyl-4,5-dihydroimidazole
• CAS: 41817-83-8
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: YFOBDZBTELLEQE-UHFFFAOYSA-N

物化性质

• 沸点：
  252.2±23.0 °C(Predicted)
• 密度：
  1.06±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-甲基-1-苯基-4,5-二氢咪唑 在 正丁基锂 、 sodium ethanolate 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 1-苯基咪唑啉-2-酮
  参考文献：
  名称：

  吡咯烷和咪唑烷系列的具有半环CC键的烯氨基二酯和单酯

  摘要：

  烯胺酯是构建双环 N-杂环和生物碱的重要原料，例如 B.石房蛤毒素和羽扇豆。在我们通过吡咯烷或咪唑烷烯胺 4,5) 的环转化合成 GABA 类似物质的研究中，这些杂环的烯胺酯也是令人感兴趣的。3 与 K-叔丁醇/硫酸二甲酯的构型逆转为 E-7（C-2/C-3 质子的位移差为 0.27 ppm）。

  DOI：

  10.1002/ardp.19883210714
• 作为产物：
  描述：

  2-甲基咪唑啉 、 苯硼酸 在 copper(II) oxide 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以78%的产率得到2-甲基-1-苯基-4,5-二氢咪唑
  参考文献：
  名称：

  Spherical CuO Nanoparticles as Catalyst for Chan–Lam Cross-Coupling Reaction under Base Free Condition

  摘要：

  An easy methodology has been developed for the N-arylation of imidazole with arylboronic acid in absence of base and ligand with the aid of as-synthesized CuO nanoparticles. The CuO nanoparticles have been synthesized via precipitation route. The as-synthesized copper oxide nanoparticles are well characterized by various analytical and spectroscopic techniques, such as powder XRD, Raman spectroscopy, TEM and BET surface area analyses. The CuO nanoparticles appear as spherical in shape with a surface area of 15.4 m(2)/g. The mentioned reaction successfully proceeds at moderate temperature in presence of the as-synthesized nanoparticles. The protocol is applicable to a wide variety of electronically diverse precursor moieties signifying its well applicability.Graphical Abstract[GRAPHICS].

  DOI：

  10.1007/s10562-017-2278-z

文献信息

• Phenoxypropylamine compounds
  申请人：——

  公开号：US20020111358A1

  公开（公告）日：2002-08-15

  The present invention relates to a phenoxypropylamine compound of the formula (I) 1 wherein each symbol is as defined in the specification, an optically active compound thereof or a pharmaceutically acceptable salt thereof and hydrates thereof, which simultaneously show selective affinity for and antagonistic activity against 5-HT 1A receptor, as well as 5-HT reuptake inhibitory activity, and can be used as antidepressants quick in expressing an anti-depressive effect.

  本发明涉及一种公式（I）中的苯氧丙胺化合物： 1 其中每个符号如说明书中所定义，其光学活性化合物或其药物可接受的盐及水合物，同时显示出对5-HT 1A 受体的选择性亲和力和拮抗活性，以及5-HT再摄取抑制活性，并且可以用作快速表达抗抑郁效果的抗抑郁药。
• Electrophilically activated nitroalkanes in reaction with aliphatic diamines en route to imidazolines
  作者：Alexander V. Aksenov、Nicolai A. Aksenov、Nikolai A. Arutiunov、Vladimir V. Malyuga、Sergey N. Ovcharov、Michael Rubin

  DOI：10.1039/c9ra08630g

  日期：——

  A novel synthetic methodology for the assembly of imidazolines via an unusual reaction between nitroalkanes and aliphatic 1,2-diamines in the presence of phosphorous acid is described. In contrast to the related highly efficient preparation of benzimidazoles from aromatic amines, this process represents a major synthetic challenge and for a long time was elusive. Analysis of the method limitations

  描述了一种在亚磷酸存在下通过硝基烷烃和脂肪族 1,2-二胺之间的不寻常反应组装咪唑啉的新合成方法。与相关的由芳香胺高效制备苯并咪唑相比，该方法是一项重大的合成挑战，长期以来一直难以捉摸。提供了方法限制的分析。
• 5-(2-Aminoethyl)-3-aryl-5-phenylaminoisoxazole durch Ringtransformation von 2-Phenacylidenimidazolidinen
  作者：Gerd Dannhardt、Stefan Laufer

  DOI：10.1055/s-1989-27131

  日期：——

  Ring Transformation of 2-Phenacylideneimidazolidines into 5-(2-Amino-ethyl)aminoisoxazoles The reaction of lithiated 2-alkyl-1-phenyl-4,5-dihydroimidazoles with benzoic esters (and pyridine analogs) leads to acylketene N,N-acetals having the structure of 2-phenacylideneimidazolidines. The E configuration of these compounds with an exocyclic double bond was substantiated by NOE experiments. With hydroxylamine hydrochloride these "endiaminones" undergo ring transformation to give 5-(2-aminoethylamino) isoxazoles which were characterized by spectrometric methods.

  将 2-苯基亚氨基咪唑烷环转化为 5-(2-氨基乙基)氨基异噁唑 锂化的 2-烷基-1-苯基-4,5-二氢咪唑与苯甲酸酯（和吡啶类似物）反应，生成具有 2-苯基亚氨基咪唑烷结构的酰基乙烯 N,N-乙醛。NOE 实验证实了这些化合物具有外环双键的 E 构型。在盐酸羟胺的作用下，这些 "内氨基酮 "发生环状转变，生成 5-（2-氨基乙基氨基）异噁唑，并通过光谱方法对其进行了表征。
• Azoline ring-containing compound, electron transport/injection layer material containing the same, and organic electroluminescent element using the same
  申请人：JNC CORPORATION

  公开号：US11342511B2

  公开（公告）日：2022-05-24

  An object is to provide an azoline ring-containing compound which achieves characteristics required for an organic EL element, such as a driving voltage, a quantum efficiency, and element lifetime in a well-balanced manner, and particularly can obtain a high quantum efficiency, for example, in a case where the azoline ring-containing compound is used for the organic EL element. The above object is achieved by an azoline ring-containing compound represented by the following general formula (1). In formula (1), φ represents an m-valent group derived from an aromatic hydrocarbon having 6 to 40 carbon atoms or the like, Y represents —O—, —S—, or >N—Ar, R1 to R5 each represent a hydrogen atom or an alkyl having 1 to 4 carbon atoms, and L represents a phenylene group or the like.

  目的是提供一种含氮啉环的化合物，它能以平衡的方式实现有机电致发光元件所需的特性，如驱动电压、量子效率和元件寿命，尤其是在将含氮啉环的化合物用于有机电致发光元件的情况下，可以获得较高的量子效率。由以下通式（1）表示的含唑啉环化合物可实现上述目标。 在式 (1) 中，φ 代表衍生自具有 6 至 40 个碳原子的芳香烃或类似物的 m 价基团，Y 代表 -O-、-S- 或 >N-Ar，R1 至 R5 各代表氢原子或具有 1 至 4 个碳原子的烷基，L 代表亚苯基或类似物。
• PHENOXYPROPYLAMINE COMPOUNDS
  申请人：Mitsubishi Pharma Corporation

  公开号：EP1188747B1

  公开（公告）日：2005-09-07