(E)-1-(benzimidazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-1-(benzimidazol-1-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.3
• InChiKey: DFUBFEUEFWKAJY-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• CRYSTALS CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：DAICEL CORPORATION

  公开号：US20150158820A1

  公开（公告）日：2015-06-11

  Provided is a crystal of an unsaturated carboxylic acid amide. The crystal is useful as or for fine chemicals such as pharmaceuticals, agricultural chemicals, polymeric materials, functional materials, and intermediates of them, has a high purity, still is not bulky, and can be handled excellently. The crystal includes an unsaturated carboxylic acid amide represented by Formula (1) in an amount of 95 percent by area or more and has a bulk density of 0.2 to 0.7 g/mL. In the formula, R 1 to R 5 are independently selected from hydrogen, alkyl, hydroxyl, alkoxy, and nitro. At least two of R 1 to R 5 may be linked to form a ring together with carbon atoms constituting the specified aromatic ring. R 6 , R 7 , and R 8 are independently selected from hydrogen, alkyl, and aryl. R 7 and R 8 may be linked to form a ring together with carbon atoms constituting the specified imidazole ring.

  提供的是一种不饱和羧酸酰胺的晶体。该晶体可用作或用于精细化学品，如制药、农药、聚合材料、功能材料以及它们的中间体，具有高纯度，仍然不臃肿，并且可以得到出色处理。该晶体包括95%或更多面积的由式（1）表示的不饱和羧酸酰胺，并且具有0.2至0.7克/毫升的堆积密度。在该式中，R1到R5独立选择自氢、烷基、羟基、烷氧基和硝基。R1到R5中至少两个可以连接在一起形成一个环，与构成指定芳香环的碳原子一起。R6、R7和R8独立选择自氢、烷基和芳基。R7和R8可以连接在一起形成一个环，与构成指定咪唑环的碳原子一起。
• CRYSTAL CONTAINING UNSATURATED CARBOXYLIC ACID AMIDE COMPOUND AND METHOD FOR PRODUCING SAME
  申请人：DAICEL CORPORATION

  公开号：US20150299135A1

  公开（公告）日：2015-10-22

  Provided is a high-purity crystal of an unsaturated carboxylic acid amide compound which is useful as or for fine chemicals such as pharmaceuticals, agricultural chemicals, polymeric materials, functional materials, and intermediates of them. The crystal includes an unsaturated carboxylic acid amide compound represented by Formula (1) in an amount of 95 percent by area or more. In X-ray diffraction, the crystal exhibits peaks at 2θ in the range of 29.0 to 30.0 and in at least one range selected from 6.0 to 8.0, 12.0 to 13.5, and 16.5 to 17.5 and exhibits approximately no peak at 2θ in the range of 14.0 to 15.0.

  提供的是高纯度晶体，属于一种不饱和羧酸酰胺化合物，可用于制备精细化学品，如制药、农药、高分子材料、功能材料及其中间体。该晶体包含95%或更多的式（1）所表示的不饱和羧酸酰胺化合物。在X射线衍射中，该晶体在2θ为29.0至30.0的范围内显示峰值，并且在6.0至8.0、12.0至13.5和16.5至17.5中至少选择一个范围内显示峰值，而在2θ为14.0至15.0的范围内几乎不显示峰值。
• US9206138B2
  申请人：——

  公开号：US9206138B2

  公开（公告）日：2015-12-08