α,α'-bis[3,5-bis(hydroxymethyl)phenoxy]-m-xylene | 845914-45-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: α,α'-bis[3,5-bis(hydroxymethyl)phenoxy]-m-xylene
• 英文别名: α,α'-bis(3,5-(hydroxymethyl)phenoxy)m-xylene；[3-[[3-[[3,5-bis(hydroxymethyl)phenoxy]methyl]phenyl]methoxy]-5-(hydroxymethyl)phenyl]methanol
• CAS: 845914-45-6
• 化学式: C₂₄H₂₆O₆
• 分子量: 410.467
• InChiKey: QCWIWCBRKPIXAX-UHFFFAOYSA-N

物化性质

• 沸点：
  690.5±50.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  30.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  99.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  α,α'-bis[3,5-bis(hydroxymethyl)phenoxy]-m-xylene 在 N-溴代丁二酰亚胺(NBS) 、 三苯基膦 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.5h， 生成 1,3-bis{3,5-bis[N-(pyridin-2-yl)-N-(pyridin-1-ium)aminomethyl]phenoxy methyl}benzene tetrabromide
  参考文献：
  名称：

  Pyridinium N-heteroarylaminides: synthesis of N-heteroaryltetramines based on 1,6-bis(phenoxy)hexane and 1,3-bis(phenoxymethyl)benzene

  摘要：

  The synthesis of a set of new N-heteroaryltetramines is reported. A regioselective alkylation on the N-exo nitrogen of pyridinium N-(heteroaryl)aminide with the corresponding tetrabromo compounds, followed by a clean N-N bond reduction of the corresponding tetra-salts, allowed an easy and general method to obtain N, N', N"', A"" -tetrakis(2-heteroaryl) tetra mines. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.06.044
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以89 %的产率得到α,α'-bis[3,5-bis(hydroxymethyl)phenoxy]-m-xylene
  参考文献：
  名称：

  3-烷氧基苯卟啉的合成、光谱性质和金属化

  摘要：

  由 5-羟基间苯二甲酸二甲酯分三步制备了一系列 5-烷氧基-1,3-苯二甲醛和相关二聚体。酸催化二醛与三吡喃二甲酸缩合，然后用 2,3-二氯-5,6-二氰基-1,4-苯醌氧化，得到了良好产率的 3-烷氧基苯卟啉，尽管二聚四醛未能得到可分离的类卟啉产品。质子核磁共振波谱没有显示出芳环电流，但三氟乙酸的添加导致了双阳离子的形成，表现出弱的双异性特征。 TFA 光谱滴定表明发生了逐步质子化，产生单阳离子和双阳离子物质。 3-烷氧基苯卟啉与乙酸镍(II)或乙酸钯(II)反应，得到相关的镍(II)或钯(II)络合物。这些稳定的有机金属衍生物表现出增强的均变性能，这对于钯 (II) 配合物最为明显。这些独特的卟啉类化合物提供了对苯卟啉性质的进一步了解。

  DOI：

  10.3390/molecules29081903

文献信息

• Synthesis and fluorescence emission of neutral and anionic di- and tetra-carboranyl compounds
  作者：Frédéric Lerouge、Albert Ferrer-Ugalde、Clara Viñas、Francesc Teixidor、Reijo Sillanpää、Arturo Abreu、Elba Xochitiotzi、Norberto Farfán、Rosa Santillan、Rosario Núñez

  DOI：10.1039/c1dt10309a

  日期：——

  compounds were characterized by IR, 1H, 11B and 13C NMR spectroscopy, and the crystal structure of closo-3 was analysed by X-ray diffraction. The carboranyl fragments are bonded through CH2 units to different organic moieties, and their influence on the photoluminescent properties of the final molecules has been studied. All the closo- and nido-carborane derivatives exhibit a blue emission under ultraviolet

  合成并表征了新的光致发光中性和阴离子二碳戊烷基和四碳戊烷基衍生物家族。α的反应，α'双（3,5-双（溴甲基）苯氧基米二甲苯与4当量的单锂盐的1-PH-1,2--C 2乙10 ħ 11或1-ME -1,2-C 2 B 10 H 11分别生成中性四碳烷基官能化的芳基醚衍生物closo - 1和closo - 2。添加1-Ph-1,2- closo -C 2 B单锂盐10小时11到α，α，' -二溴米二甲苯或2,6-二溴甲基吡啶给出相应的二碳戊基衍生物closo - 3和closo - 4。这些包含四个或两个closo簇的化合物是使用经典方法降解的，酸值 在 乙醇，得到相应的Nido物质，将其分离为钾盐或四甲基铵盐。通过IR，1 H，11 B和13 C NMR光谱对所有化合物进行表征，并通过X射线衍射分析closo - 3的晶体结构。碳硼烷基片段通过CH 2单元键合到不同的有机部分，并且研究了它
• Decorating Poly(alkyl aryl-ether) Dendrimers with Metallacarboranes
  作者：Rosario Núñez、Emilio José Juárez-Pérez、Francesc Teixidor、Rosa Santillan、Norberto Farfán、Arturo Abreu、Rebeca Yépez、Clara Viñas

  DOI：10.1021/ic101306w

  日期：2010.11.1

  A new family of polyanionic poly(alkyl aryl-ether) metallodendrimers decorated with four and eight cobaltabisdicarbollide units have been obtained in high yield by the ring-opening reaction of cyclic oxonium [3,3'-Co(8-(C2H4O)(2)-1,2-C2B9H10)-(1',2'-C2B9H11 )] with alkoxides formed by deprotonation of terminal alcohols in the alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-p-xylene, alpha,alpha'-bis[3,5-bis(hydroxymehyl)phenoxy]-m-xylene, alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]phenoxy]-m-xylene and alpha,alpha'-bis[3,5-bis-[3,5-bis(hydroxymethyl)phenoxy]methylen]-phenoxy]-m-xylene dendrimers. The crystal structure of the precursor alpha,alpha'-bis[3,5-bis(chloromethyl)phenoxy]-p-xylene is also described. Final products are fully characterized by FTIR, NMR, UV vis spectroscopies and elemental analysis. For metallodendrimers, the UV vis absorptions have been a good tool for estimating the experimental number of cobaltabisdicarbollide units peripherally attached to the dendrimeric structure and consequently to corroborate the complete functionalization of the dendrimers.
• Synthesis and structural analysis of isomeric pyridinophanes and thiacyclophanes
  作者：Perumal Rajakumar、Manickam Dhanasekaran、Sivashanmugam Selvanayagam、Venkatachalam Rajakannan、Devadasan Velmurugan、Krishnan Ravikumar

  DOI：10.1016/j.tetlet.2004.12.033

  日期：2005.2

  A one-pot synthesis of structurally isomeric tetrathiacyclophanes through four-centre coupling reactions of suitable bromides and thiols is reported. The structures of the isomers were confirmed by spectroscopy and XRD analysis. Single crystal X-ray analysis reveals interestingly shaped molecular structures with large cavities. (C) 2004 Published by Elsevier Ltd.