4-cumylphenoxy-N-(2',6'-diisopropylphenyl)-1,8-naphthalimide | 937016-59-6

• 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: 4-cumylphenoxy-N-(2',6'-diisopropylphenyl)-1,8-naphthalimide
• 英文别名: 2-(2,6-diisopropylphenyl)-6-[4-(1-methyl-1-phenylethyl)-phenoxy ]-benzo[de]isoquinoline-1,3-dione；2-(2,6-diisopropylphenyl)-6-[4-(1-methyl-1-phenylethyl)-phenoxy]-benzo[de]isoquinoline-1,3-dione；2-[2,6-Di(propan-2-yl)phenyl]-6-[4-(2-phenylpropan-2-yl)phenoxy]benzo[de]isoquinoline-1,3-dione
• CAS: 937016-59-6
• 化学式: C₃₉H₃₇NO₃
• 分子量: 567.728
• InChiKey: NKRLSUBMCIMNBX-UHFFFAOYSA-N

物化性质

• 沸点：
  698.2±55.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  43
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴-1,8-萘二甲酸酐 在 18-冠醚-6 、 溶剂黄146 、 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 4-cumylphenoxy-N-(2',6'-diisopropylphenyl)-1,8-naphthalimide
  参考文献：
  名称：

  FLUORESCENT BRIGHTENERS, METHODS OF PREPARATION THEREOF, FLUORESCENT BRIGHTENER COMPOSITIONS, AND METHODS OF PREPARATION AND USES THEREOF

  摘要：

  化合物的化学式（I），其中R1、R2和R3在每次出现时独立地为氢、卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C20芳香基，但R1为甲基或氢时，R2和R3不为氢；R4和R5在每次出现时独立地为氢、卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C10芳香基；R7和R8在每次出现时独立地为卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C10芳香基；R6为C2-C20脂肪基、C3-C10环脂肪基或C3-C20芳香基；“n”和“m”分别独立地为0至3的整数。

  公开号：

  US20110065843A1

文献信息

• Fluorescent brighteners, methods of preparation thereof, fluorescent brightener compositions, and methods of preparation and uses thereof
  申请人：Naik Narayan Shantaram

  公开号：US20070117887A1

  公开（公告）日：2007-05-24

  A compound of Formula (I) wherein R 1 , R 2 , and R 3 are independently at each occurrence hydrogen, a halogen, a cyano functionality, a C 1 -C 20 aliphatic functionality, a C 3 -C 10 cycloaliphatic functionality or a C 3 -C 20 aromatic functionality, with the proviso that R 2 and R 3 are not hydrogen when R 1 is a methyl or hydrogen; R 4 and R 5 are independently at each occurrence hydrogen, a halogen, a cyano functionality, a C 1 -C 20 aliphatic functionality, a C 3 -C 10 cycloaliphatic functionality or a C 3 -C 10 aromatic functionality; R 7 and R 8 are independently at each occurrence, a halogen, a cyano functionality, a C 1 -C 20 aliphatic functionality, a C 3 -C 10 cycloaliphatic functionality or a C 3 -C 10 aromatic functionality; R 6 is a C 2 -C 20 aliphatic functionality, a C 3 -C 10 cycloaliphatic functionality or a C 3 -C 20 aromatic functionality; and “n” and “m” are each independently integers having a value of 0 to 3.

  式(I)的化合物，其中R1、R2和R3在每次出现时独立地为氢、卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C20芳香基，但R1为甲基或氢时，R2和R3不为氢；R4和R5在每次出现时独立地为氢、卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C10芳香基；R7和R8在每次出现时独立地为卤素、氰基、C1-C20脂肪基、C3-C10环脂肪基或C3-C10芳香基；R6为C2-C20脂肪基、C3-C10环脂肪基或C3-C20芳香基；“n”和“m”分别独立地为0至3的整数。
• Substituent effect on quantum efficiency in 4-aryloxy-N-(2′,6′-diisopropylphenyl)-1,8-naphthalimides: Experimental and computational investigations
  作者：Tianchai Choppawa、Mongkol Sukwattanasinitt、Somboon Sahasithiwat、Vithaya Ruangpornvisuti、Paitoon Rashatasakhon

  DOI：10.1016/j.dyepig.2014.05.007

  日期：2014.10

  A series of potential optical brightening agents - 4-aryloxy-N-(2',6'-diisopropylpheny1)-1,8-naphthalimides are synthesized and their photo-physical properties are experimentally determined. Interestingly, it is found that their quantum efficiencies or quantum yields are exclusively dependent on the substituents on the aryloxy group at the 4-position. It is postulated that the electronic effect of the substituents influences the photo-induced electron transfer process, which causes a variation in quantum efficiencies. Due to analysis of charge transfer from 1,8-naphthalimide molecular part to its substituents in dichloromethane based on the time-dependent density functional theory at Becke 3-parameters Lee-Yang-Parr level coupling with the 6-31G(d) basis set in the conductor-like polarizable continuum model with the united atom topological model computations, it is found that computed charge transfers of these serial compounds correspond well with their experimental quantum yields. Validation of the calculation method is performed by experimental determination of the quantum yield of the nitro-substituted compound. (C) 2014 Elsevier Ltd. All rights reserved.
• FLUORESCENT BRIGHTENERS AND COMPOSITIONS THEREOF, METHODS OF PREPARATION AND USES
  申请人：General Electric Company

  公开号：EP1966145A2

  公开（公告）日：2008-09-10
• US7608715B2
  申请人：——

  公开号：US7608715B2

  公开（公告）日：2009-10-27
• US8183310B2
  申请人：——

  公开号：US8183310B2

  公开（公告）日：2012-05-22