N,N'-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides | 297751-89-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N,N'-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides
• 英文别名: 2,7-bis(2-tert-butylphenyl)benzo[lmn][3,8]phananthroline-1,3,6,8-tetrone；6,13-Bis(2-tert-butylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
• CAS: 297751-89-4
• 化学式: C₃₄H₃₀N₂O₄
• 分子量: 530.623
• InChiKey: UEAMVGWKMSBHFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  74.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N,N'-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides 在 氢氧化钾 、 氧气 作用下， 以96%的产率得到Potassium; 2-(2-tert-butyl-phenyl)-7-(2-tert-butyl-phenylamino)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-6-carboxylate
  参考文献：
  名称：

  Langhals, Heinz; Unold, Petra von, Angewandte Chemie, 1995, vol. 107, # 20, p. 2436 - 2439

  摘要：

  DOI：
• 作为产物：
  描述：

  2-叔丁基苯胺 、 1,4,5,8-萘四甲酸酐 在 溶剂黄146 作用下， 反应 24.0h， 生成 N,N'-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides
  参考文献：
  名称：

  通过对萘二甲酰亚胺的转氨作用使萘二甲酰亚胺染料。

  摘要：

  已经制备了具有am结构的萘-1,4,5,8-四羧酸的衍生物。sim酰亚胺在紫外区域的光吸收移至可见光，而im酰亚胺也以大的斯托克斯位移发光。已经显示出双酰亚胺-内酰胺重排可以如何扩展到am结构。

  DOI：

  10.1002/chem.200500899

文献信息

• Difference in guest-inclusion abilities of anti- and syn-rotamers
  作者：Keiki Kishikawa、Chiaki Iwashima、Shigeo Kohmoto、Kentaro Yamaguchi、Makoto Yamamoto

  DOI：10.1039/b002220i

  日期：——

  Guest inclusion abilities of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides 1 and 2, were investigated. Rotamers 1 and 2 were synthesised from 2-tert-butylaniline and naphthalene-1,4,5,8-tetracarboxylic dianhydride and separated by conventional column chromatography on silica gel. Recrystallisation of 1 from chloroform in the presence of a guest molecule (3 mole equivalents) was performed, and 15 guest molecules were included with a variety of host∶guest ratios, 1∶1 (chloroform, pyridine, 4-picoline, benzene, quinoline, diphenylacetylene, naphthalene, and p-toluidine), 1∶2 (phenol, 3-ethylphenol, 4-methoxyphenol, indole, 5-methylindole, and tetrathiafulvalene), and 1∶4 (benzothiazole). In contrast, 2 showed no inclusion of guest molecules under the same conditions as those applied to 1. In order to investigate the intermolecular interaction in the crystalline state of 1, 2 and 1·(indole)2, X-ray diffraction of single crystals was measured and these structures were compared.

  对反式和顺式-N,N′-双-(2-叔丁基苯基)萘-1,4,5,8-四甲酰二亚胺1和2的客体包合能力进行了研究。 旋转体1和2由2-叔丁基苯胺和萘-1,4,5,8-四甲酰二酐合成，并通过常规硅胶柱色谱法分离。 在存在客体分子（3摩尔当量）的情况下，从氯仿中重新结晶1，并以15种客体分子与各种主客体比（1∶1（氯仿、吡啶、4-甲基吡啶、苯、喹啉、二苯乙炔、萘和对甲苯胺）、1∶2（苯酚、3-乙基苯酚、4-甲氧基苯酚、吲哚、5-甲基吲哚和四硫富瓦烯）和1∶4（苯并噻唑））进行包合。 相比之下，在适用于1的相同条件下，2没有显示包合客体分子。 为了研究1、2和1·（吲哚）2的晶体状态下的分子间相互作用，测量了单晶体的X射线衍射并比较了这些结构。
• NAPHTHALENE AMIDINE IMIDES
  申请人：BASF SE

  公开号：EP1907484B1

  公开（公告）日：2010-09-29
• Naphthalene amidine imides
  申请人：Langhals Heinz

  公开号：US20100202984A1

  公开（公告）日：2010-08-12

  Disclosed are naphthalinamidinimide of formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 and R 6 independently from each other are hydrogen; or C 1 -C 37 alkyl; wherein—one to 10 of the CH 2 units of C 1 -C 37 alkyl independently from each may be substituted by carbonyl groups; oxygen atoms; sulphur atoms; selenium atoms; tellurium atoms; cis- or trans-CH═CH— groups; acetylenic C≡C— groups; 1,2-, 1,3- or 1,4-substituted phenyl radicals; 2,3-, 2,4-, 2,5-, 2,6-, 3,4- or 3,5-disubstituted pyridine radicals; 2,3-, 2,4-, 2,5- or 3,4-disubstituted thiophene radicals; 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 2,3-, 2,6- or 2,7-disubstituted 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 1,9-, 1,10-, 2,3-, 2,6-, 2,7-, 2,9-, 2,10- or 9,10-disubstituted anthracene radicals; wherein one or 2 CH— groups of the CH═CH— groups, the naphthalene radicals and the anthracene radicals may be substituted by nitrogen atoms; —up to 12 single hydrogen atoms of the CH 2 — groups independently from each other may be substituted at the same carbon atoms by fluorine; chlorine; bromine; or iodine; the cyano group; a linear alkyl chain with up to 18 carbon atoms; cis- or frans-CH═CH— groups; acetylenic C≡C— groups; 1,2-, 1,3- or 1,4-substituted phenyl radicals; 2,3-, 2,4-, 2,5-, 2,6-, 3,4- or 3,5-disubstituted pyridine radicals; 2,3-, 2,4-, 2,5- or 3,4-disubstituted thiophene radicals; 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 2,3-, 2,6- or 2,7-disubstituted naphthalene radicals; 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 1,9-, 1,10-, 2,3-, 2,6-, 2,7-, 2,9-, 2,10- or 9,10-disubstituted anthracene radicals; wherein up to 6 CH 2 — units in the alkyl chain independently from each other may be substituted by carbonyl groups, oxygen atoms, sulphur atoms, selenium atoms, tellurium atoms and up to 12 single hydrogen atoms of the CH 2 — groups of the alkyl radicals each independently from each other may also be substituted at the same C-atoms by fluorine, chlorine, bromine or iodine or cyano groups or linear alkyl chains with up to 18 carbon atoms, wherein one to 6 CH 2 -units independently from each other may be substituted by carbonyl groups, oxygen atoms, sulphur atoms, selenium atoms, tellurium atoms, cis- or frans-CH═CH— groups, wherein one CH-unit may also be substituted by a nitrogen atom, by acetylenic C≡C— groups, 1,2-, 1,3- or 1,4-substituted phenyl radicals, 2,3-, 2,4-, 2,5-, 2,6-, 3,4- or 3,5-disubstituted pyridine radicals, 2,3-, 2,4-, 2,5- or 3,4-disubstituted thiophene radicals, 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 2,3-, 2,6- or 2,7-disubstituierte naphthalene radicals, wherein one or two carbon atoms may be substituted by nitrogen atoms, by 1,2-, 1,3-, 1,4-, 1,5-, 1,6-, 1,7-, 1,8-, 1,9-, 1,10-, 2,3-, 2,6-, 2,7-, 2,9-, 2,10- or 9,10-di-substituierte anthracene radicals, wherein one or two carbon atoms may be substituted by nitrogen atoms; or instead of substituents the free valencies of the methine or quarternary carbon atoms may be linked pairwise forming rings like cyclohexane rings; or are an amino radical, if R 1 C 1 and R 2 together with the carbon atoms C and C or R 3 and R 4 together with the carbon atoms C 3 and C 4 form a 6-membered radical; R 7 and R 8 , independently from each other are =0; or ═NH—, if ═NH— together with the nitrogen atom N (for R 6 ) or together with the nitrogen atom N (for R 7 ) forms a five-membered radical. The compounds are useful for different purposes, preferably as UV absorbers for cosmetic applications.
• US5886183A
  申请人：——

  公开号：US5886183A

  公开（公告）日：1999-03-23
• US8404705B2
  申请人：——

  公开号：US8404705B2

  公开（公告）日：2013-03-26