methyl 9-(dimethylamino)-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate | 214115-72-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: methyl 9-(dimethylamino)-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate
• 英文别名: Methyl 2,2-bis(4-methoxyphenyl)-9-dimethylamino-2H-naphtho [1,2-b]pyran-5-carboxylate；Methyl 9-diethylamino-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate；methyl 9-(dimethylamino)-2,2-bis(4-methoxyphenyl)benzo[h]chromene-5-carboxylate
• CAS: 214115-72-7
• 化学式: C₃₁H₂₉NO₅
• 分子量: 495.575
• InChiKey: VQJBYTOZLOWTTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  57.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 9-(dimethylamino)-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate 反应 0.33h， 生成
  参考文献：
  名称：

  The photophysical behavior of the photochromic naphthopyran derivative having photo-switching ability

  摘要：

  The photophysical behavior of the photochromic naphthopyran derivative 9 with photo-switching ability has been investigated in solution phase as well as in crystalline form. The proposed switching motifs might be a versatile framework in the development of photonic devices whose properties can be toggled between two states on exposure to electromagnetic radiations. The closed form of 9 undergoes reversible transformation upon irradiation with light by changing the molecular structure from ring closed conformation 9 to the ring opened form 10. The compound 9 exhibited first absorption signal at 238 nm with shoulder peak at 261 nm and second absorption signal at 353 nm while on photo-irradiation, the colorless solution of 9 turn to colored and there was ratiometric downfall in the signal intensity for shoulder signal at 261 nm as well as second absorption signal at 353 nm and ultimately results in the disappearance of these both signal after 20 min of irradiations. Meanwhile, the colorimetric change in the reaction solution and considerable shift in the absorption and emission signal intensity as well as position suggest the conformational changes in the molecules from less conjugate conformation 9 to the extended conjugated conformation 10. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.10.016
• 作为产物：
  描述：

  生成 methyl 9-(dimethylamino)-2,2-bis(4-methoxyphenyl)-2H-benzo[h]chromene-5-carboxylate
  参考文献：
  名称：

  The photophysical behavior of the photochromic naphthopyran derivative having photo-switching ability

  摘要：

  The photophysical behavior of the photochromic naphthopyran derivative 9 with photo-switching ability has been investigated in solution phase as well as in crystalline form. The proposed switching motifs might be a versatile framework in the development of photonic devices whose properties can be toggled between two states on exposure to electromagnetic radiations. The closed form of 9 undergoes reversible transformation upon irradiation with light by changing the molecular structure from ring closed conformation 9 to the ring opened form 10. The compound 9 exhibited first absorption signal at 238 nm with shoulder peak at 261 nm and second absorption signal at 353 nm while on photo-irradiation, the colorless solution of 9 turn to colored and there was ratiometric downfall in the signal intensity for shoulder signal at 261 nm as well as second absorption signal at 353 nm and ultimately results in the disappearance of these both signal after 20 min of irradiations. Meanwhile, the colorimetric change in the reaction solution and considerable shift in the absorption and emission signal intensity as well as position suggest the conformational changes in the molecules from less conjugate conformation 9 to the extended conjugated conformation 10. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2014.10.016

文献信息

• NEUTRAL COLOURING PHOTOCHROMIC 2H-NAPHTHO 1,2-b PYRANS AND HETEROCYCLIC PYRANS
  申请人：Vivimed Labs Europe Ltd

  公开号：EP0971914B1

  公开（公告）日：2011-05-18