2,7-bis(2,5-di-tert-butylphenyl)benzo[lmn][3,8]phananthroline-1,3,6,8-tetrone | 173166-63-7

• 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: 2,7-bis(2,5-di-tert-butylphenyl)benzo[lmn][3,8]phananthroline-1,3,6,8-tetrone
• 英文别名: N,N'-(2,5-di-tert-butylphenyl)-1,8:4,5-naphthalenetetracarboxydiimide；6,13-Bis(2,5-ditert-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: 173166-63-7
• 化学式: C₄₂H₄₆N₂O₄
• 分子量: 642.838
• InChiKey: LPNDBZUMRCLYAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  48
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2,7-bis(2,5-di-tert-butylphenyl)benzo[lmn][3,8]phananthroline-1,3,6,8-tetrone 在 氢氧化钾 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 反应 3.0h， 以62%的产率得到1,6-Bis-(2,5-di-tert-butyl-phenyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7-trione
  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：

  2,5-二叔丁基苯胺 、 1,4,5,8-萘四甲酸酐 在 溶剂黄146 作用下， 反应 24.0h， 以52%的产率得到2,7-bis(2,5-di-tert-butylphenyl)benzo[lmn][3,8]phananthroline-1,3,6,8-tetrone
  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

• Observation of Proton-Coupled Electron Transfer by Transient Absorption Spectroscopy in a Hydrogen-Bonded, Porphyrin Donor−Acceptor Assembly
  作者：Niels H. Damrauer、Justin M. Hodgkiss、Joel Rosenthal、Daniel G. Nocera

  DOI：10.1021/jp049296b

  日期：2004.5.1

  Proton-coupled electron transfer (PCET) kinetics of a Zn(II) porphyrin donor noncovalently bound to a naphthalene-diimide acceptor through an amidinium-carboxylate interface have been investigated by time-resolved spectroscopy. The S, singlet excited-state of a Zn(II) 2-amidinium-5,10,15,20-tetramesitylporphyrin chloride (ZnP-beta-AmH+) donor is sufficiently energetic (2.04 eV) to reduce a carboxylate-diimide acceptor (DeltaGdegrees = -460 mV, THF). Static quenching of the porphyrin fluorescence is observed and time-resolved measurements reveal more than a 3-fold reduction in the S, lifetime of the porphyrin upon amidinium-carboxylate formation (THF, 298 K). Picosecond transient absorption spectra of the free ZnP-beta-AmH+ in THF reveal the existence of an excited-state isosbestic point between the S-1 and T-1 states at probe = 650 nm, providing an effective 'zero-kinetics' background on which to observe the formation of PCET photoproducts. Distinct rise and decay kinetics are attributed to the build-up and subsequent loss of intermediates resulting from a forward and reverse PCET reaction, respectively (k(PCET)(fwd) = 9 x 10(8) s(-1) and k(PCET)(rev) = 14 x 101 s-1). The forward rate constant is nearly 2 orders of magnitude slower than that measured for covalently linked Zn(II) porphyrin-acceptor dyads of comparable driving force and D-A distance, establishing the importance of a proximal proton network in controlling charge transport.
• 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.
• ORGANIC ELECTROLUMINESCENT DEVICE AND LIGHT-EMITTING POLYMER COMPOSITION
  申请人：Uetani Yasunori

  公开号：US20120319567A1

  公开（公告）日：2012-12-20

  An organic EL device comprising a pair of electrodes and a light emitting layer disposed between the electrodes, wherein the above-described light emitting layer is a light emitting layer comprising at least one compound selected from the group consisting of the following compounds (I) to (IV) and derivatives thereof, and a first light emitting polymer, or a light emitting layer comprising a second light emitting polymer having as a repeating unit a divalent residue of at least one compound selected from the group consisting of the above-described compounds (I) to (IV) and derivatives thereof; (I) perylene tetracarboxylic diimide or naphthalene tetracarboxylic diimide (II) perylene tetracarboxylic dianhydride or naphthalene tetracarboxylic dianhydride (III) perylene tetracarboxylic bisimidazole or naphthalene tetracarboxylic bisimidazole (IV) perylene tetracarboxylic bispyrimidine or naphthalene tetracarboxylic bispyrimidine.
• US5886183A
  申请人：——

  公开号：US5886183A

  公开（公告）日：1999-03-23