1,4,8,11,15,18,22,25-octahexylphthalocyanine | 110962-70-4
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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熔点：171 °C (polymorph)
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密度：1.052±0.06 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：30.1
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重原子数：88
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可旋转键数：40
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环数：9.0
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sp3杂化的碳原子比例：0.6
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拓扑面积：109
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氢给体数：2
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氢受体数：6
反应信息
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作为反应物：描述：1,4,8,11,15,18,22,25-octahexylphthalocyanine 在 三正丁胺 、 三氯硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以87%的产率得到dihydroxy[1,4,8,11,15,18,22,25-octakis(hexyl)phthalocyaninato]silicon参考文献：名称：Nonlinear absorption properties of some 1,4,8,11,15,18,22,25-octaalkylphthalocyanines and their metallated derivatives摘要：研究了一系列 15 种未金属化和金属化 1,4,8,11,15,18,22,25-octaalkyl 酞菁的三阶非线性光学特性。钯金属化的化合物是该系列中最强的非线性吸收体，但由于其线性吸收系数相对较高，与其他化合物相比，它的激发态吸收截面与基态吸收截面之比（κ）相对较低。用铟和铅金属化的衍生物的 κ 值最高。镍金属化的化合物是最弱的非线性吸收体，这表明它们不适合作为实用无源光限制器的潜在材料。从现象上看，κ 和饱和能量密度 (Fsat) 的数据与线性吸收系数的变化趋势相关。这可能会对设计用于非线性光学应用的酞菁产生一些影响。DOI：10.1039/b300199g
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作为产物：描述：2,4-二溴-3,5-二甲基噻吩 在 lithium 作用下， 以 戊醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 1,4,8,11,15,18,22,25-octahexylphthalocyanine参考文献：名称：Phthalocyanine-related Macrocycles: Cross Cyclotetramerisation Products from 3,4-Dicyanothiophenes, 2,3-Dicyanothiophene and 3,6-Dialkylphthalonitriles摘要：Examples of the novel tribenzo[b,g,l]thiopheno[3,4-q]porphyrazine and tribenzo[b,g,l]thiopheno[2,3-q]porphyrazine ring systems have been obtained by cross cyclotetramerisation reactions of 3,6-dialkylphthalonitriles with 3,4-dicyanothiophenes and 2,3-dicyanothiophene respectively. Dibenzodithiophenol[2,3]porphyrazines and benzotrithiopheno[2,3]porphyrazines have also been recovered. Octaoctyl tribenzo[b,g,l]thiopheno[3,4-q]porphyrazine, in particular, shows a strongly split Q-band absorption in the far red region of the spectrum, one component of which is highly bathochromiclaly shifted relative to the corresponding band in octaoctyl phthalocyanine. The compounds, most of which exhibit columnar liquid crystal behaviour, form even, transparent spin-coated films which exhibit a broad band absorption envelope, in some instances extending from 600 nm to beyond 800 nm. Reaction of 2,3-dicyanothiophene with a 2,5-dialkyl-3,4-dicyanothiophene, the latter in excess, gives a product mixture rich in macrocycles derived predominantly from involvement of the former. (C) 2000 Elsevier Science Ltd. All rights reserved.DOI：10.1016/s0040-4020(00)00323-9
文献信息
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Synthesis and characterization of some octaalkyl substituted lead phthalocyanines and unexpected variations in lead lability arising from the position of substituents and their chain length作者：Lydia X. Sosa-Vargas、Isabelle Chambrier、Colin J. MacDonald、Simon J. Coles、Graham J. Tizzard、Andrew N. Cammidge、Michael J. CookDOI：10.1142/s108842461350020x日期：2013.6
The preparation of some peripherally substituted (2,3,9,10,16,17,23,24) and non-peripherally substituted (1,4,8,11,15,18,22,25) octaalkyl lead(II) phthalocyanines with different alkyl chain lengths (6, 7, 8 or 9 carbons) is described and a comparison of some of their properties reported. X-ray structure analyses of the isomeric peripheral and non-peripheral octakis(octyl)phthalocyaninato lead(II) compounds reveal a greater degree of distortion of the ligand ring system from planarity in the former derivative. The series of peripherally substituted octaalkyl lead(II) phthalocyanines exhibit columnar liquid crystal behavior whereas the non-peripherally substituted isomers do not. The lability of the lead ion was investigated using 1 H NMR spectrometry under a specific set of conditions (8.8 × 10-4 M solutions of the phthalocyanine in d8-toluene containing d4-acetic acid 2.06 × 10-5 M). All the compounds underwent acid catalyzed demetalation at rates dependent upon the location of the substituents and, more surprisingly, the chain length of the alkyl groups. Under these conditions the lead ion within each of the peripherally substituted octaalkyl lead phthalocyanines was more labile than that in the non-peripherally substituted isomer.
本文介绍了一些外周取代（2,3,9,10,16,17,23,24）和非外周取代（1,4,8,11,15,18,22,25）、具有不同烷基链长度（6、7、8 或 9 个碳原子）的八烷基酞菁铅（II）的制备方法，并对它们的一些性质进行了比较。对同分异构的外周和非外周辛基酞菁族铅（II）化合物的 X 射线结构分析表明，前者衍生物中配体环系统的平面变形程度更大。外周取代的八烷基酞菁铅（II）系列表现出柱状液晶行为，而非外周取代的异构体则没有。在一组特定条件下（酞菁在含有 2.06 × 10-5 M d4-乙酸的 d8-甲苯中的 8.8 × 10-4 M 溶液），使用 1 H NMR 光谱法研究了铅离子的稳定性。所有化合物都在酸催化下发生了脱金属反应，脱金属的速度取决于取代基的位置，更令人惊讶的是取决于烷基的链长。在这些条件下，外周取代的八烷基酞菁铅中的铅离子比非外周取代的异构体中的铅离子更易变。 -
Catalytic epoxidation of stilbenes with non-peripherally alkyl substituted carbonyl ruthenium phthalocyanine complexes作者：Charles A. Enow、Charlene Marais、Barend C.B. BezuidenhoudtDOI：10.1142/s1088424612500459日期：2012.4
A number of novel carbonyl(1,4,8,11,15,18,22,25-octaalkylphthalocyaninato)-ruthenium(II) complexes were prepared by metal insertion with Ru3(CO)12. The new compounds have been characterized by1H NMR,13C NMR, IR, UV-vis and mass spectroscopy. This study demonstrated that this type of complexes and specifically carbonyl(1,4,8,11,15,18,22,25-octahexylphthalo-cyaninato)ruthenium(II) and carbonyl[1,4,8,11,15,18,22,25-octa(2-cyclohexylethyl)phthalocyaninato]-ruthenium(II), exhibit high catalytic activity and stability in the epoxidation of stilbenes with 2,6-dichloropyridine N-oxide as oxidant.
通过金属插入 Ru3(CO)12 制备了一些新型羰基（1,4,8,11,15,18,22,25-八烷基酞菁）-钌（II）配合物。新化合物通过 1H NMR、13C NMR、IR、UV-vis 和质谱进行了表征。该研究表明，这类配合物，特别是羰基（1,4,8,11,15,18,22,25-八己基邻苯二甲酰）钌（II）和羰基[1,4,8,11,15,18,22、和羰基[1,4,8,11,15,18,22,25-八（2-环己基乙基）酞氰基]-钌（II）在以 2,6-二氯吡啶 N-氧化物为氧化剂的二苯乙烯环氧化反应中表现出较高的催化活性和稳定性。 -
Design and synthesis of liquid crystalline phthalocyanines: combinations of substituents that promote the discotic nematic mesophase作者：Andrew D. Garland、Isabelle Chambrier、Andrew N. Cammidge、Michael J. CookDOI：10.1016/j.tet.2015.04.006日期：2015.9exhibit only columnar mesophases, which is common among liquid crystalline phthalocyanines. However, four examples form the rare discotic nematic mesophase. A general structural feature is deduced in that this rare phase is favoured when the number of linking atoms in the hydroxyalkyl chain exceeds twice the number of carbon atoms in any one of the six common alkyl chains, disrupting the columnar packing一个同源系列的十四个无金属的1,4,8,11,15,18-六（烷基）-22-甲基-25-羟烷基酞菁衍生物可询问六个烷基链和促进热致向列液晶行为的羟烷基链的长度。除两种化合物外，所有化合物均形成中间相。其余八种化合物仅表现出柱状中间相，这在液晶酞菁中很常见。然而，四个例子形成了罕见的盘状向列中间相。推断出一般的结构特征是，当羟烷基链中的连接原子数超过六个普通烷基链中任何一个的碳原子数的两倍时，这种稀有相是有利的，从而破坏了柱状堆积排列。此外，
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リンフタロシアニン化合物申请人：山本化成株式会社公开号：JP2017031397A公开（公告）日：2017-02-09【課題】近赤外領域に強い吸収を有し、可視光領域の吸収が非常に小さく、耐久性が高く、有機溶剤や樹脂に対する溶解性が良好なため、近赤外線吸収材料に広く利用可能なリンフタロシアニン化合物を提供する。【解決手段】フタロシアニン骨格に直鎖又は分岐のアルキル基を有し、フタロシアニンの中心元素に二つのアルコキシ基で置換されたＰを有し、Ｂｒ−、ＰＦ６−、ＣＨ３ＳＯ３−等の１価のアニオン基を有するリンフタロシアニン化合物。【選択図】なし【问题】提供一种在近红外领域具有强烈吸收，可见光领域吸收非常小，耐久性高，对有机溶剂和树脂具有良好溶解性的磷酞菁化合物，可广泛用于近红外吸收材料。 【解决方案】磷酞菁化合物，具有直链或分支的烷基的菲咯啉骨架，以及在菲咯啉中心元素上用两个烷氧基取代的P，具有单价阴离子基Br-，PF6-，CH3SO3-等。 【选图】无。
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Improved synthesis of non-peripherally alkyl-substituted tetrabenzotriazaporphyrins作者：Akihiko Fujii、Hiromichi Itani、Koichi Watanabe、Quang-Duy Dao、Lydia Sosa-Vargas、Yo Shimizu、Masanori OzakiDOI：10.1080/15421406.2017.1348802日期：2017.8.13ABSTRACT Improvement of synthesis of non-peripherally alkyl-substituted macrocycle molecules, 1,4,8,11,15,18,22,25-octaalkyltetrabenzotriazaporphyrins (CnTBTAPH2) has been investigated. In the reaction from 3,6-dialkyl phthalonitrile to CnTBTAPH2, the yield has been markedly improved by replacing a conventional Grignard reagent with methyllithium. The modified procedure using a stable solvent was significantly摘要 对非外围烷基取代的大环分子 1,4,8,11,15,18,22,25-八烷基四苯并三氮杂卟啉 (CnTBTAPH2) 合成的改进进行了研究。在3,6-二烷基邻苯二甲腈到CnTBTAPH2的反应中，通过用甲基锂代替常规格氏试剂，产率得到显着提高。使用稳定溶剂的改进程序对于反应系统的放大以及产率的提高非常有效。
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