[1-(6-{[4-(dimethylamino)phenyl]ethynyl}naphthalen-2-yl)ethylidene]propanedinitrile | 1554027-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [1-(6-{[4-(dimethylamino)phenyl]ethynyl}naphthalen-2-yl)ethylidene]propanedinitrile
• 英文别名: [1-(6-{[4-(dimethylamino)phenyl]ethynyl}-2-naphthyl)ethylidene]malononitrile；2-[1-[6-[2-[4-(Dimethylamino)phenyl]ethynyl]naphthalen-2-yl]ethylidene]propanedinitrile；2-[1-[6-[2-[4-(dimethylamino)phenyl]ethynyl]naphthalen-2-yl]ethylidene]propanedinitrile
• CAS: 1554027-03-0
• 化学式: C₂₅H₁₉N₃
• 分子量: 361.446
• InChiKey: GZMUEVSPJXLCNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  50.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-乙酰基-2-萘酚 在 吡啶 、 copper(l) iodide 、 palladium diacetate 、 二异丙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 28.5h， 生成 [1-(6-{[4-(dimethylamino)phenyl]ethynyl}naphthalen-2-yl)ethylidene]propanedinitrile
  参考文献：
  名称：

  Elongation of the molecular probe DDNP with phenylethynylidene or phenyldiazenylidene spacers

  摘要：

  In this work, we report the synthesis, X-ray structures, and optical properties of two DDNP analogs containing an unsaturated spacer inserted between the donor N,N-dimethylamino group and the naphthalene ring. The new compounds have longer distances between the donor and acceptor groups and are intended to serve as molecular probes for the assessment of spatial and polarity requirements for binding to protein aggregates found in the central nervous system (CNS) of patients with neurodegenerative diseases. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.002

文献信息

• Elongation of the molecular probe DDNP with phenylethynylidene or phenyldiazenylidene spacers
  作者：Luka Rejc、Jan Fabris、Armin Adrović、Marta Kasunič、Andrej Petrič

  DOI：10.1016/j.tetlet.2014.01.002

  日期：2014.2

  In this work, we report the synthesis, X-ray structures, and optical properties of two DDNP analogs containing an unsaturated spacer inserted between the donor N,N-dimethylamino group and the naphthalene ring. The new compounds have longer distances between the donor and acceptor groups and are intended to serve as molecular probes for the assessment of spatial and polarity requirements for binding to protein aggregates found in the central nervous system (CNS) of patients with neurodegenerative diseases. (C) 2014 Elsevier Ltd. All rights reserved.