methyl 4-(5-phenyl-1H-1,2,4-triazol-3-yl)benzoate | 480390-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 4-(5-phenyl-1H-1,2,4-triazol-3-yl)benzoate
• 英文别名: methyl 4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzoate
• CAS: 480390-82-7
• 化学式: C₁₆H₁₃N₃O₂
• 分子量: 279.298
• InChiKey: GXQHPYFESGSNKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-(5-phenyl-1H-1,2,4-triazol-3-yl)benzoate 在 盐酸 、 aqueous sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以79%的产率得到4-(5-phenyl-1H-1,2,4-triazol-3-yl)benzoic acid
  参考文献：
  名称：

  EP1405636

  摘要：

  公开号：

文献信息

• Function regulator for retinoid relative receptor
  申请人：——

  公开号：US20040157881A1

  公开（公告）日：2004-08-12

  The present invention provides a retinoid-related receptor (except retinoic acid receptors) function regulating agent comprising a compound represented by the formula: 1 wherein one of R 1 and R 2 is an optionally substituted monocyclic aromatic hydrocarbon group or an optionally substituted monocyclic aromatic heterocyclic group containing one heteroatom, and the other is a hydrogen atom and the like; B is a 5- or 6-membered heterocycle (except 1,3-azole); A is an optionally substituted aromatic hydrocarbon group or an optionally substituted aromatic heterocyclic group; and R 3 is a hydrogen atom and the like, or a salt thereof, which is useful as an agent for the prophylaxis or treatment of diabetes mellitus, hyperlipidemia, impaired glucose tolerance or the like.

  本发明提供了一种调节视黄醛相关受体（除视黄酸受体外）功能的药剂，其包括以下式子所示的化合物：1其中R1和R2中的一个是可选的取代的单环芳烃基或含有一个杂原子的可选取代的单环芳杂环基，另一个是氢原子等；B是一个5-或6-成员杂环（除了1,3-唑）；A是一个可选取代的芳香烃基或可选取代的芳香杂环基；R3是氢原子等，或其盐，可用作预防或治疗糖尿病、高脂血症、糖耐量受损等的药剂。
• FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1405636A1

  公开（公告）日：2004-04-07

  The present invention provides a retinoid-related receptor (except retinoic acid receptors) function regulatin agent comprising a compound represented by the formula: wherein one of R1 and R2 is an optionally substituted monocyclic aromatic hydrocarbon group or an optionally substituted monocyclic aromatic heterocyclic group containing one heteroatom, and the other is a hydrogen atom and the like; B is a 5- or 6-membered heterocycle (except 1,3-azole); A is an optionally substituted aromatic hydrocarbon group or an optionally substituted aromatic heterocyclic group; and R3 is a hydrogen atom and the like, or a salt thereof, which is useful as an agent for the prophylaxis or treatment of diabetes mellitus, hyperlipidemia, impaired glucose tolerance or the like.

  本发明提供了一种视黄酸相关受体（视黄酸受体除外）功能调节剂，其包含由式表示的化合物： 其中 R1 和 R2 中的一个是任选取代的单环芳香烃基团或任选取代的含一个杂原子的单环芳香杂环基团，另一个是氢原子等；B 是 5 或 6 元杂环（1,3-唑除外）；A 是任选取代的芳香烃基团或任选取代的芳香杂环基团；以及 R3 是氢原子等，或其盐，可用作预防或治疗糖尿病、高脂血症、糖耐量受损或类似疾病的药物。
• 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.