5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole | 1151995-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
• CAS: 1151995-74-2
• 化学式: C₁₈H₁₈N₂O₃
• 分子量: 310.353
• InChiKey: LNEJCQRIHJYPQU-UHFFFAOYSA-N

物化性质

• 沸点：
  494.1±45.0 °C(predicted)
• 密度：
  1.177±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  叔丁氧羰基-苯丙氨酰-丙氨酸 、 5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  一种结合 3,5-二取代吡唑的短疏水肽​​作为具有 DNA 促旋酶抑制作用的抗菌剂

  摘要：

  大多数活生物体中都含有抗菌肽 (AMP)。它们的作用方式是独特的，不同于传统的抗生素。尽管已经研究了几类抗菌肽，但它们对微生物的作用机制尚不清楚，否则将为进一步开发新的药物化合物提供坚实的背景。目前的工作描述了肽-吡唑缀合物的抗菌活性的合成和评价。评估了这些缀合物针对革兰氏阳性和革兰氏阴性细菌菌株的抗菌效力，发现与单独的肽和简单的吡唑化合物相比，肽-吡唑缀合物的抗菌效力增强。分子对接研究表明，配体PH3、PH4、PH10对关键蛋白质非常有效。化合物PH3、PH4和PH10在 DNA 促旋酶的假定结合位点附近结合，对接得分为 -6.54、-8.2 和 -7.09 kcal/mol。

  DOI：

  10.1016/j.molstruc.2022.134661
• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 乙腈 为溶剂， 反应 0.5h， 以84.2 mg的产率得到5-phenyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
  参考文献：
  名称：

  Facile One-Pot Synthesis of 3,5-Disubstituted 1H-Pyrazoles from Propargylic Alcohols via Propargyl Hydrazides

  摘要：

  A new and efficient metal-free, two-component, one-pot approach to a variety of 3,5-disubstituted 1H-pyrazoles has been developed from propargylic alcohols. This transformation proceeds via an acid-catalyzed propargylation of N,N-diprotected hydrazines followed by base-mediated 5-endo-dig cyclization leading to 3,5-disubstituted 1H-pyrazoles in good overall yields.

  DOI：

  10.1055/s-0032-1316856

文献信息

• Resin composition
  申请人：KONICA MINOLTA, INC.

  公开号：US10012777B2

  公开（公告）日：2018-07-03

  The present invention provides a resin composition capable of forming a film exhibiting a small humidity-dependent variation in optical values; a triazole compound to be incorporated into the resin composition; an optical film and an optical lens, each of which is prepared from the resin composition and exhibits a small humidity-dependent variation in optical values; and a polarizing plate, a circularly polarizing plate, and an image display device, each of which includes the optical film and exhibits excellent moisture resistance. The resin composition of the present invention contains a resin and a compound having a 5-membered or 6-membered aromatic hydrocarbon or heterocyclic ring, wherein the resin is a hygroscopic resin, the compound has at least three specific aromatic rings having a specific NICS value, and the specific aromatic rings are bonded to one another via a single bond or one or two atoms.

  本发明提供了一种能够形成薄膜的树脂组合物，其光学值随湿度的变化很小；一种三唑化合物，可掺入该树脂组合物中；一种光学薄膜和一种光学透镜，它们分别由该树脂组合物制备而成，其光学值随湿度的变化很小；以及一种偏光板、一种圆偏光板和一种图像显示装置，它们分别包括该光学薄膜，并具有优异的防潮性能。本发明的树脂组合物包含一种树脂和一种具有 5 元或 6 元芳香烃环或杂环的化合物，其中树脂是一种吸湿性树脂，化合物具有至少三个具有特定 NICS 值的特定芳香环，特定芳香环通过单键或一个或两个原子相互结合。
• RESIN COMPOSITION, TRIAZOLE COMPOUND, OPTICAL FILM, POLARIZING PLATE, OPTICAL LENS, CIRCULARLY POLARIZING PLATE AND IMAGE DISPLAY DEVICE
  申请人：KONICA MINOLTA, INC.

  公开号：US20150338563A1

  公开（公告）日：2015-11-26

  The present invention provides a resin composition capable of forming a film exhibiting a small humidity-dependent variation in optical values; a triazole compound to be incorporated into the resin composition; an optical film and an optical lens, each of which is prepared from the resin composition and exhibits a small humidity-dependent variation in optical values; and a polarizing plate, a circularly polarizing plate, and an image display device, each of which includes the optical film and exhibits excellent moisture resistance. The resin composition of the present invention contains a resin and a compound having a 5-membered or 6-membered aromatic hydrocarbon or heterocyclic ring, wherein the resin is a hygroscopic resin, the compound has at least three specific aromatic rings having a specific NICS value, and the specific aromatic rings are bonded to one another via a single bond or one or two atoms.
• TRIAZOLE COMPOUND
  申请人：KONICA MINOLTA, INC.

  公开号：US20180203175A1

  公开（公告）日：2018-07-19

  A triazole compound having a structure represented by the following Formula (1.2): wherein Z represents a structure represented by the following Formula (1.2a), q is 2 or 3, and at least two structures Z bonded to the benzene ring of Formula (1.2) and are located in the ortho- or meta-position relative to each other: wherein R 10 represents a hydrogen atom, an alkyl group, or an alkoxy group, p represents an integer of 1 to 5, and * represents a position at which the structure is bonded to the benzene ring.