[2-[2-[6-[2-[2-(Carbamoylamino)phenyl]ethynyl]-4-[2-(dimethylamino)ethoxy]pyridin-2-yl]ethynyl]phenyl]urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [2-[2-[6-[2-[2-(Carbamoylamino)phenyl]ethynyl]-4-[2-(dimethylamino)ethoxy]pyridin-2-yl]ethynyl]phenyl]urea
• 英文别名: [2-[2-[6-[2-[2-(carbamoylamino)phenyl]ethynyl]-4-[2-(dimethylamino)ethoxy]pyridin-2-yl]ethynyl]phenyl]urea
• 化学式: C₂₇H₂₆N₆O₃
• 分子量: 482.542
• InChiKey: ZMZCNXDQVQYCPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [2-[2-[6-[2-[2-(Carbamoylamino)phenyl]ethynyl]-4-[2-(dimethylamino)ethoxy]pyridin-2-yl]ethynyl]phenyl]urea 、 三氟乙酸 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  “Off-on” aggregation-based fluorescent sensor for the detection of chloride in water

  摘要：

  一类新的2,6-双(2-苯胺乙炔基)吡啶双脲类化合物在水中表现出对氯离子的选择性荧光增强。

  DOI：

  10.1039/c4ob02409e
• 作为产物：
  描述：

  在 四丁基磷酸氢铵 作用下， 以 氘代二甲亚砜 、 水 为溶剂， 生成 [2-[2-[6-[2-[2-(Carbamoylamino)phenyl]ethynyl]-4-[2-(dimethylamino)ethoxy]pyridin-2-yl]ethynyl]phenyl]urea
  参考文献：
  名称：

  “Off-on” aggregation-based fluorescent sensor for the detection of chloride in water

  摘要：

  一类新的2,6-双(2-苯胺乙炔基)吡啶双脲类化合物在水中表现出对氯离子的选择性荧光增强。

  DOI：

  10.1039/c4ob02409e

文献信息

• PHENYLACETYLENES
  申请人：University of Oregon

  公开号：US20150355153A1

  公开（公告）日：2015-12-10

  A compound, or a protonate or salt thereof, having the formula of: wherein R 1 is an optionally substituted aromatic group; n is 1 or 2; each R 2 is independently selected from an optionally substituted alkyl, halogen, optionally substituted alkoxy, optionally substituted carboxyl, or amide; a is 0 to 4; R 3 is H or an optionally substituted alkyl; each R 4 and R 5 is independently selected from H, optionally substituted alkyl, acyl, optionally substituted aralkyl, optionally substituted aryl, or —C(O)R 8 ; and R 8 is H, alkyl, aralkyl or aryl.
• US9964531B2
  申请人：——

  公开号：US9964531B2

  公开（公告）日：2018-05-08
• [EN] PHENYLACETYLENES<br/>[FR] PHÉNYLACÉTYLÈNES
  申请人：OREGON STATE

  公开号：WO2014116578A1

  公开（公告）日：2014-07-31

  A compound, or a protonate or salt thereof, having the formula (I); wherein R1 is an optionally substituted aromatic group; n is 1 or 2; each R2 is independently selected from an optionally substituted alkyl, halogen, optionally substituted alkoxy, optionally substituted carboxyl, or amide; a is 0 to 4; R3 is H or an optionally substituted alkyl; each R4 and R5 is independently selected from H, optionally substituted alkyl, acyl, optionally substituted aralkyl, optionally substituted aryl, or -C(O)R8; and R8 is H, alkyl, aralkyl or aryl.