4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-[13-oxo-3-phenylindeno[2,1-f]naphtho[1,2-b]pyran-3-yl]-1,2-diphenylethane | 872715-82-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-[13-oxo-3-phenylindeno[2,1-f]naphtho[1,2-b]pyran-3-yl]-1,2-diphenylethane
• 英文别名: 5-Phenyl-5-[4-[2-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]ethyl]phenyl]-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one；5-phenyl-5-[4-[2-[4-(3-phenylbenzo[f]chromen-3-yl)phenyl]ethyl]phenyl]-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-21-one
• CAS: 872715-82-7
• 化学式: C₅₉H₄₀O₃
• 分子量: 796.965
• InChiKey: BOFZBSSCMIHQDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.8
• 重原子数：
  62
• 可旋转键数：
  7
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-[13-oxo-3-phenylindeno[2,1-f]naphtho[1,2-b]pyran-3-yl]-1,2-diphenylethane 、 甲基碘化镁 以 乙醚 为溶剂， 反应 1.0h， 以70%的产率得到4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-[13-hydroxy-13-methyl-3-phenylindeno[2,1-f]naphtho[1,2-b]pyran-3-yl]-1,2-diphenylethane
  参考文献：
  名称：

  Spectrokinetic studies on new bi-photochromic molecules containing two naphthopyran entities

  摘要：

  A range of new bi-photochromic molecules containing two identical (3a-d) or two distinct naphthopyran units (6a-d), linked through the phenyl substituents located on the sp(3) hybridised pyran ring carbon atom, using conjugated and non-conjugated spacers, have been synthesised from bis-propynols and (substituted) naphthols. Study of the spectrokinetic properties of these compounds under near UV-vis continuous irradiation conditions revealed that the two naphthopyran units are stimulated independently leading to open forms with higher colourabilities but without affecting the individual bleaching kinetics. Compared to the individual photochromic components and to model mono-photochromes it was observed that the nature of the bridge has a small effect on the photochromic properties of each system. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.035
• 作为产物：
  描述：

  4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-(1-hydroxy-1-phenylprop-2-yn-1-yl)-1,2-diphenylethane 、 5-羟基苯并[c]芴-7-酮 在 4-甲基苯磺酸吡啶 、 原甲酸三甲酯 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 以60%的产率得到4'-[3-phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4''-[13-oxo-3-phenylindeno[2,1-f]naphtho[1,2-b]pyran-3-yl]-1,2-diphenylethane
  参考文献：
  名称：

  Spectrokinetic studies on new bi-photochromic molecules containing two naphthopyran entities

  摘要：

  A range of new bi-photochromic molecules containing two identical (3a-d) or two distinct naphthopyran units (6a-d), linked through the phenyl substituents located on the sp(3) hybridised pyran ring carbon atom, using conjugated and non-conjugated spacers, have been synthesised from bis-propynols and (substituted) naphthols. Study of the spectrokinetic properties of these compounds under near UV-vis continuous irradiation conditions revealed that the two naphthopyran units are stimulated independently leading to open forms with higher colourabilities but without affecting the individual bleaching kinetics. Compared to the individual photochromic components and to model mono-photochromes it was observed that the nature of the bridge has a small effect on the photochromic properties of each system. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.09.035