6-[bis(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-naphthol | 1360873-78-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-[bis(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-naphthol
• 英文别名: 6-[bis(3,5-dimethyl-1H-pyrrol-2-yl)methyl]naphthalen-2-ol
• CAS: 1360873-78-4
• 化学式: C₂₃H₂₄N₂O
• 分子量: 344.456
• InChiKey: KOWSIMJPDSXYME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  51.8
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-[bis(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-naphthol 在 2,3-二氯-5,6-二氰基-1,4-苯醌 、 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 以29%的产率得到4,4-difluoro-1,3,5,7-tetramethyl-8-(6-hydroxynaphth-2-yl)-4-bora-3a,4a-diaza-s-indacene
  参考文献：
  名称：

  The synthesis and properties of naphthopyran– boradiazaindacene conjugates

  摘要：

  Three new 3,3-diaryl-3H-naphtho[2,1-b]pyran-boradiazaindacene conjugates have been synthesised. The naphthopyran-boradiazaindacene conjugates exhibit a weaker photochromic response relative to the simple naphthopyrans with the photomerocyanines fading relatively quickly. Photochromic switching of the naphthopyran unit results in a decrease in the fluorescence intensity for only the most persistent photomerocyanine. A crystal structure shows that the units are essentially orthogonally disposed and that the boradiazaindacene core is extensively delocalised. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.002
• 作为产物：
  描述：

  2,4-二甲基吡咯 、 6-羟基-2-萘甲醛 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以56%的产率得到6-[bis(3,5-dimethyl-1H-pyrrol-2-yl)methyl]-2-naphthol
  参考文献：
  名称：

  The synthesis and properties of naphthopyran– boradiazaindacene conjugates

  摘要：

  Three new 3,3-diaryl-3H-naphtho[2,1-b]pyran-boradiazaindacene conjugates have been synthesised. The naphthopyran-boradiazaindacene conjugates exhibit a weaker photochromic response relative to the simple naphthopyrans with the photomerocyanines fading relatively quickly. Photochromic switching of the naphthopyran unit results in a decrease in the fluorescence intensity for only the most persistent photomerocyanine. A crystal structure shows that the units are essentially orthogonally disposed and that the boradiazaindacene core is extensively delocalised. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.01.002