1,4-dimethyl-2-phenyl-1H-imidazole | 749152-44-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-dimethyl-2-phenyl-1H-imidazole
• 英文别名: 1,4-dimethyl-2-phenyl-1H-imidazole；1,4-Dimethyl-2-phenyl-imidazol；1,4-Dimethyl-2-phenylimidazol；Imidazole, 1,4-dimethyl-2-phenyl-；1,4-dimethyl-2-phenylimidazole
• CAS: 749152-44-1
• 化学式: C₁₁H₁₂N₂
• 分子量: 172.23
• InChiKey: XPGFFTDBXYDFGO-UHFFFAOYSA-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：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,4-dimethyl-2-phenyl-1H-imidazole 在 四(三苯基膦)钯 硫酸 、 碘 、 碘酸 、 silver(l) oxide 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 32.0h， 生成 9,10-bis((1,4-dimethyl-2-phenyl-1H-imidazol-5-yl)ethynyl)anthracene
  参考文献：
  名称：

  Engineering Control over the Conformation of the Alkyne−Aryl Bond by the Introduction of Cationic Charge

  摘要：

  A novel arylene-ethynylene molecule has been synthesized. This molecule is more stable in a coplanar form than in a twisted form as in the cases of typical arylene-ethynylene molecules. When the cationic charge was introduced into the pi-conjugated system, the perpendicularly twisted form became more stable than the coplanar state. The conformational change was controlled by introduction and removal of cationic charge, confirmed by the absorption and fluorescence spectroscopy and DFT calculation.

  DOI：

  10.1021/ol7016966
• 作为产物：
  描述：

  N-methyl-N-(prop-2-yn-1-yl)benzimidamide 在 tris(bis(trimethylsilyl)amido)samarium(III) 作用下， 以 氘代四氢呋喃 为溶剂， 反应 8.0h， 生成 1,4-dimethyl-2-phenyl-1H-imidazole
  参考文献：
  名称：

  Ln [N（SiMe3）2] 3催化CN/CC交叉插入到N ？H键：从炔丙基胺和腈轻松合成1,2,4-三取代的咪唑

  摘要：

  CN和CC的镧系元素催化的顺序插入到一个N  H键被呈现。在温和的条件下进行的便捷反应是直接从容易获得的炔丙基胺和腈制备1,2,4-三取代的咪唑的有效方法。

  DOI：

  10.1002/chem.201402701

文献信息

• Atom-Economical Synthesis of <i>N</i>-Heterocycles via Cascade Inter-/Intramolecular C−N Bond-Forming Reactions Catalyzed by Ti Amides
  作者：Hao Shen、Zuowei Xie

  DOI：10.1021/ja101796k

  日期：2010.8.25

  Direct and efficient catalytic reactions with excellent regioselectivity for the preparation of a series of substituted isoindoles, isoquinolines, and imidazoles are reported. Reaction of C(6)H(4)(2-CN)C[triple bond]C-R with an array of amines, catalyzed by 10 mol % of [sigma:eta(1):eta(5)-(OCH(2))(Me(2)NCH(2))C(2)B(9)H(9)]Ti(NMe(2)) (1), gives a series of substituted isoindoles in very high yields

  报道了具有优异区域选择性的直接有效的催化反应，用于制备一系列取代的异吲哚、异喹啉和咪唑。C(6)H(4)(2-CN)C[三键]CR 与一系列胺的反应，由 10 mol% [sigma:eta(1):eta(5)-(OCH(2) ))(Me(2)NCH(2))C(2)B(9)H(9)]Ti(NMe(2)) (1)，以非常高的产率得到一系列取代的异吲哚。以类似的方式，C(6)H(4)(2-CH(2)CN)C[三键]C-Ph 与各种胺的相互作用提供了广泛的取代异喹啉。另一方面，在 10 mol% 的 1 存在下用腈处理炔丙胺（R'C[三键]CCH(2)NHR''）会以高产率产生一类取代的咪唑。提出了一种可能的反应机理，
• SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES
  申请人：Bayer Aktiengesellschaft

  公开号：US20200390100A1

  公开（公告）日：2020-12-17

  The present invention relates to substituted N-heterocyclyl- and N-heteroaryltetrahydropyrimidinones of the general formula (I) or salts thereof, where the radicals in the general formula (I) correspond to the definitions given in the description, and to the use thereof as herbicides, in particular for controlling broad-leaved weeds and/or weed grasses in crops of useful plants and/or as plant growth regulators for influencing the growth of crops of useful plants.

  本发明涉及通式（I）或其盐的取代N-杂环烷基和N-杂芳基四氢嘧啶酮，其中通式（I）中的基团对应于描述中给出的定义，并将其用作除草剂，特别是用于控制作物中的阔叶杂草和/或杂草草，并/或作为植物生长调节剂，以影响作物的生长。
• Retardation film, method for producing the same, polarizing plate and liquid crystal display
  申请人：Inagaki Shinji

  公开号：US20070134446A1

  公开（公告）日：2007-06-14

  A method of producing a long roll retardation film comprising the sequential steps of: (a) casting a film forming material on an endless support to form a long roll film; (b) stretching the long roll film in a lateral direction of the long roll film while both edges of the long roll film are held employing a plurality of clips for each of the edges in a tenter (First Process); (c) reducing distances in the lateral direction between the clips holding the both edges of the long roll film while the edges of the long roll film are held continuously from First Process with the clips (Second Process); (d) enlarging the distances in the lateral direction between the clips holding the both edges of the long roll film while the edges of the long roll film are held continuously from Second Process with the clips (Third Process).

  一种制造长卷延迟膜的方法，包括以下步骤：(a)在无限支撑上铸造成膜形成材料，形成长卷膜;(b)在张力机上用多个夹子夹住长卷膜的两个边缘，沿长卷膜的横向方向拉伸长卷膜（第一步骤）;(c)在第一步骤中，保持夹子夹住长卷膜的两个边缘，同时减小夹子之间的横向距离（第二步骤）;(d)在第二步骤中，保持夹子夹住长卷膜的两个边缘，同时增大夹子之间的横向距离（第三步骤）。
• 5,5-FUSED ARYLENE OR HETEROARYLENE HEPATITIS C VIRUS INHIBITORS
  申请人：Idenix Pharmaceuticals LLC

  公开号：EP2513113B1

  公开（公告）日：2018-08-01
• Photo-, Solvent-, and Ion-Controlled Multichromism of Imidazolium-Substituted Diarylethenes
  作者：Takuya Nakashima、Kentaro Miyamura、Toshiyuki Sakai、Tsuyoshi Kawai

  DOI：10.1002/chem.200801192

  日期：2009.2.9

  AbstractSeeing red: Imidazolium‐substituted diarylethenes show solvent‐ and ion‐controlled chromisms in addition to reversible photochromic reactions. The shift of equilibrium between two closed‐ring isomers with different π‐conjugation length by interaction with nucleophilic species is responsible for the multichromic property (see scheme).magnified imageCationic diarylethenes with an imidazolium ring are synthesized for the first time. The imidazolium cationic moiety is connected directly to the ethene unit as one of the aryl units that take part in the photoinduced pericyclization reaction. The imidazolium‐substituted diarylethenes undergo reversible photochromic reactions in a variety of organic media, including ionic liquids, even though they have a delocalized cationic charge in one of the five‐membered aromatic rings. The closed‐ring isomer shows solvatochromism depending on the solvent donor numbers. Addition of some tetraalkylammonium salts, such as tetrabutyl ammonium nitrate, into the colored organic solution of diarylethene also causes a color change, indicating its ionochromic property. These solvato‐ and ionochromic properties are considered in connection with the shift of chemical equilibrium between the closed‐ring isomers, one with an extended π‐conjugation system and one with limited π‐conjugation due to the strong interaction with solvent molecules and anions with high donor number.