3-(3-Bromo-4-methylphenyl)-5-methyl-1,2,4-oxadiazole | 1006878-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-Bromo-4-methylphenyl)-5-methyl-1,2,4-oxadiazole
• CAS: 1006878-17-6
• 化学式: C₁₀H₉BrN₂O
• 分子量: 253.098
• InChiKey: KKGYNTHPXKRJNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  38.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-((Cyclopropylmethyl)carbamoyl)phenyl)boronic acid 、 3-(3-Bromo-4-methylphenyl)-5-methyl-1,2,4-oxadiazole 在 四(三苯基膦)钯 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以24%的产率得到N-(cyclopropylmethyl)-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR

  摘要：

  The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38 alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing oral activity in an in vivo disease model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.043
• 作为产物：
  描述：

  3-bromo-N-hydroxy-4-methylbenzimidamide 、 乙酸酐 在 sodium methylate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以41%的产率得到3-(3-Bromo-4-methylphenyl)-5-methyl-1,2,4-oxadiazole
  参考文献：
  名称：

  Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR

  摘要：

  The biphenyl amides are a novel series of p38 MAP kinase inhibitors. Structure-activity relationships of the series against p38 alpha are discussed with reference to the X-ray crystal structure of an example. The series was optimised rapidly to a compound showing oral activity in an in vivo disease model. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.043

文献信息

• Optical film, and polarizing plate and liquid crystal display device using the same
  申请人：Nagai Michio

  公开号：US20070065601A1

  公开（公告）日：2007-03-22

  An optical film comprising an optically anisotropic layer including a liquid crystalline compound, wherein the optically anisotropic layer satisfies the following formulae: Re (450)/ Re (650)<1.25  Formula (1): wherein Re(450) and Re(650) are in-plane retardation values (unit: nm) of the optically anisotropic layer at wavelengths of 450 nm and 650 nm, respectively; 0.09< Re — m (550)/ d Formula (2): wherein Re_m(550) is an in-plane retardation value (unit: nm) of a uniaxial alignment layer in which the director of the liquid crystalline compound is aligned to be parallel in the plane at a wavelength of 550 nm, and d is the thickness of the uniaxial alignment layer (unit: nm).
• Compound ,Composition And Thin Film
  申请人：Takahashi Makoto

  公开号：US20080064879A1

  公开（公告）日：2008-03-13

  A liquid-crystalline compound of the following formula: wherein Y 11 , Y 12 and Y 13 are methine or N; L 1 , L 2 and L 3 are single bond or divalent group; H 1 , H 2 and H 3 are formula (DI-A) or (DI-B); YA 1 , YA 2 , YB 1 and YB 2 are methine or N; XA and XB are O, S, etc.; R 1 , R 2 and R 3 are -(-L 21 -Q 2 ) n1 -L 22 -L 23 -Q 1 ; L 21 is single bond or divalent group; Q 2 is cyclic divalent group; n1 is 0-4; L 22 is —O—, —O—CO—, etc; L 23 is —O—, —S—, etc.; Q 1 is polymerizable group or H.
• Optically-Anisotropic Film and Liquid-Crystal Display Device
  申请人：Ichihashi Mitsuyoshi

  公开号：US20080075892A1

  公开（公告）日：2008-03-27

  A novel optically-anisotropic film is disclosed. The film is formed of a composition comprising at least one discotic liquid-crystal compound having a ratio, α 1, which is a ratio of birefringence at 400 nm to birefringence at 550 nm in a liquid-crystal state, of less than 1.25, in which the molecules of the liquid-crystal compound are fixed in an alignment state at a mean tilt angle ranging from 35 to 85°, wherein its in-plane retardation Re, as measured in a direction normal to a plane of the optically-anisotropic film for 50 nm wavelength light, falls within the range from 60 nm to 220 nm.
• Liquid Crystal Composition, Retardation Plate, and Elliptic Polarizing Plate
  申请人：Nishikawa Hideyuki

  公开号：US20080186443A1

  公开（公告）日：2008-08-07

  A liquid crystal composition is provided and includes: at least one kind of liquid crystal R exhibiting a liquid crystal phase having a positive birefringence property; and at least one kind of liquid crystal D exhibiting a liquid crystal phase having a negative birefringence property. The characteristic birefringence Δn (λ) at wavelength λ of the liquid crystal phase exhibited by the liquid crystal R satisfies the equation (II): Δn (450 nm)/Δn (550 nm)<1.0.
• Retardation Plate, Elliptically Polarizing Plate and Liquid Crystal Display
  申请人：Nishikawa Hideyuki

  公开号：US20080193679A1

  公开（公告）日：2008-08-14

  A retardation plate comprising at least one optically anisotropic layer, wherein at least one of said optically anisotropic layers is formed from a composition containing a liquid crystalline compound represented by the following formula: wherein Y 11 , Y 12 and Y 13 are methine or N; L 1 , L 2 and L 3 are single bond or divalent group; H 1 , H 2 and H 3 are formula (DI-A) or (DI-B); YA 1 , YA 2 , YB 1 and YB 2 are methine or N; XA and XB are O, S, etc.; R 1 , R 2 and R 3 are -(-L 21 -Q 2 ) n1 -L 22 -L 23 -Q 1 ; L 21 is single bond or divalent group; Q 2 is cyclic divalent group; n1 is 0 - 4; L 22 is —O—, —O—CO—, etc; L 23 is —O—, —S—, etc.; Q 1 is polymerizable group or H.