diethyl 2,5-bis(benzyloxy)terephthalate | 341542-79-8

• 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: diethyl 2,5-bis(benzyloxy)terephthalate
• 英文别名: Diethyl-2.5-diterephthalat；2,5-bis-benzyloxy-terephthalic acid diethyl ester；2,5-Bis-benzyloxy-terephthalsaeure-diaethylester；2.5-Dibenzyloxy-terephthalsaeure-diaethylester；diethyl 2,5-bis(phenylmethoxy)benzene-1,4-dicarboxylate
• CAS: 341542-79-8
• 化学式: C₂₆H₂₆O₆
• 分子量: 434.489
• InChiKey: PURXKBWLAJXNBE-UHFFFAOYSA-N

物化性质

• 沸点：
  583.5±45.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 2,5-bis(benzyloxy)terephthalate 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 [4-[(2-Phenylacetyl)oxymethyl]-2,5-bis(phenylmethoxy)phenyl]methyl 2-phenylacetate
  参考文献：
  名称：

  Binding of Tetramethylammonium to Polyether Side-Chained Aromatic Hosts. Evaluation of the Binding Contribution from Ether Oxygen Donors

  摘要：

  A set of macrocyclic and open-chain aromatic ligands endowed with polyether side chains has been prepared to assess the contribution of ether oxygen donors to the binding of tetramethylammonium (TMA), a cation believed incapable of interacting with oxygen donors. The open-chain hosts consisted of an aromatic binding site and side chains possessing a variable number of ether oxygen donors; the macrocyclic ligands were based on the structure of a previously investigated host, the dimeric cyclophane 1,4-xylylene-1,4-phenylene diacetate (DXPDA), implemented with polyether-type side chains in the backbone. Association to tetramethylammonium picrate (TMAP) was measured in CDCl3 at T = 296 K by H-1 NMR titrations. Results confirm that the main contribution to the binding of TMA comes from the cation-pi interaction established with the aromatic binding sites, but they unequivocally show that polyether chains participate with cooperative contributions, although of markedly smaller entity. Water is also bound, but the two guests interact with aromatic rings and oxygen donors in an essentially noncompetitive way. An improved procedure for the preparation of cyclophanic tetraester derivatives has been developed that conveniently recycles the oligomeric ester byproducts formed in the one-pot cyclization reaction. An alternative entry to benzylic diketones has also been provided that makes use of a low-order cyanocuprate reagent to prepare in fair yields a class of compounds otherwise uneasily accessible.

  DOI：

  10.1021/jo034905h
• 作为产物：
  描述：

  2,5-二羟基对苯二甲酸 在 硫酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 生成 diethyl 2,5-bis(benzyloxy)terephthalate
  参考文献：
  名称：

  通过本地和全球动力合作实现水晶灵活性设计

  摘要：

  将局部迁移率纳入灵活的框架有望创造出常规软质多孔晶体无法实现的协同性能。在这项研究中，我们提出了一种设计策略，该结构通过框架内π-π相互作用整合取代基部分和柔性多孔晶体框架。这种整合不仅促进框架结构的转变，而且赋予多孔配位聚合物（PCP）不同的无客体结构，具体取决于活化条件。所具有的灵活性使材料能够根据不同的开门行为来区分C6烷烃异构体。因此，五氯苯酚在C6异构体分离中具有潜在的应用，这是石油精炼过程中生产高辛烷值汽油的关键步骤。基于配体可设计性的这一策略，

  DOI：

  10.1002/anie.202015257

文献信息

• 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS
  申请人：OM Pharma SA

  公开号：EP3878837A1

  公开（公告）日：2021-09-15

  The invention provides hydroquinone derivatives of formula (I), processes of preparation, as well as pharmaceutical compositions and methods of treating and/or preventing e.g. autoimmune, immunological, rheumatology, vascular, ophthalmologic, fibrotic, metabolic and gastro-intestinal disorders, neuroinflammatory and neurodegenerative diseases, neoplasms and cancer associated disorders, hormone related diseases and immunological disorders resulting from viral and bacterial infectious diseases and complications thereof. wherein: Ra, Rb = H, acyl or aryl alkyl; R1 = COOR4, (CH2)nCOOR4, SO3H, (CH2)nSO3H or CONH-R10; R2 and R3 = H or R5, with the proviso that when one of R2 and R3 is R5, the other is H; R4 = H, alkyl or aryl alkyl; R5 = R6, R7 or R8; R6 = CONH-R9, CONHCOR9, CONH(CH2)n- R9, CONHCH(COOR4)(CH2)k R9 or heteroaryl-R9; k = 0-4; R7 = optionally substituted benzoheteroaryl ; R8 = (CH 2)mX(CH2)p R9; X = O, S, SO2, NH, NAc or N(CH2)q R9; R9 = optionally substituted aryl, heteroaryl or cycloalkyl ; R10 = optionally substituted aryl or heteroaryl ; n, m, p and q = independently 1-4.

  该发明提供了公式（I）的氢醌衍生物，制备方法，以及治疗和/或预防例如自身免疫、免疫学、风湿学、血管学、眼科学、纤维化、代谢和胃肠道疾病、神经炎症和神经退行性疾病、肿瘤和癌症相关疾病、激素相关疾病以及由病毒和细菌感染疾病及其并发症引起的免疫疾病的药物组合物和治疗方法。其中：Ra、Rb = H、酰基或芳基烷基；R1 = COOR4、（CH2）nCOOR4、SO3H、（CH2）nSO3H或CONH-R10；R2和R3 = H或R5，但当R2和R3中的一个为R5时，另一个为H；R4 = H、烷基或芳基烷基；R5 = R6、R7或R8；R6 = CONH-R9、CONHCOR9、CONH（CH2）n-R9、CONHCH（COOR4）（CH2）kR9或杂环芳基-R9；k = 0-4；R7 = 可选取代的苯杂环芳基；R8 =（CH2）mX（CH2）pR9；X = O、S、SO2、NH、NAc或N（CH2）qR9；R9 = 可选取代的芳基、杂环芳基或环烷基；R10 = 可选取代的芳基或杂环芳基；n、m、p和q = 独立地为1-4。
• Highly fluorescent columnar liquid crystals with elliptical molecular shape: oblique molecular stacking and excited-state intramolecular proton-transfer fluorescence
  作者：Jangwon Seo、Sehoon Kim、Se Hoon Gihm、Chong Rae Park、Soo Young Park

  DOI：10.1039/b711883j

  日期：——

  We have synthesized a novel class of excited-state intramolecular proton transfer-active molecule (DOXG) forming columnar liquid crystals with enhanced fluorescence emission. The intramolecularly H-bonded core of DOXG produced columnar hexagonal and rectangular phases during cooling as a result of strong core-to-core interactions. In its mesophase, DOXG produced tilted stacking (J-type) in the inner column due to the elliptical molecular shape, bringing about a strong (quantum yield of 34%) and large Stokes' shifted (∼173 nm) fluorescence emission.

  我们合成了一类新型激发态分子内质子转移活性分子（DOXG），其形成的柱状液晶具有增强的荧光发射。DOXG 分子内的 H 键核心在冷却过程中产生柱状六方和矩形相，这是核心与核心之间强烈相互作用的结果。在中间相中，由于分子形状呈椭圆形，DOXG 在内柱中产生了倾斜堆积（J 型），从而产生了强烈（量子产率为 34%）和大的斯托克斯偏移（173 nm）荧光发射。
• Nef, Justus Liebigs Annalen der Chemie, 1890, vol. 258, p. 273
  作者：Nef

  DOI：——

  日期：——
• WAWZONEK S.; DURHAM J. E., ORG. PREP. AND PROCED. INT., 1976, 8, NO 3, 148
  作者：WAWZONEK S.、 DURHAM J. E.

  DOI：——

  日期：——
• [EN] 2,5- OR 2,6-DISUBSTITUTED HYDROQUINONE DERIVATIVES WITH AT LEAST ONE CARBOXY, SULFO OR AMIDO GROUP USEFUL AS MEDICAMENTS<br/>[FR] DÉRIVÉS DISUBSTITUÉS EN POSITION 2,5 OU 2,6 D'HYDROQUINONE PRÉSENTANT AU MOINS UN GROUPE CARBOXY, SULFO OU AMIDO, UTILES EN TANT QUE MÉDICAMENTS
  申请人：OM PHARMA SA

  公开号：WO2021180655A1

  公开（公告）日：2021-09-16

  The present invention provides novel hydroquinone derivatives of formula (I), processes of preparation, as well as pharmaceutical compositions and methods of treating and/or preventing e.g. autoimmune, immunological, rheumatology, vascular disorders, ophthalmologic disorders, fibrotic disorders, metabolic and gastrointestinal disorders, neuroinflammatory and neurodegenerative diseases, neoplasms and cancer associated disorders, hormone related diseases and immunological disorders resulting from viral and bacterial infectious diseases and complications thereof. wherein R 1 is COOR 4, (CH 2 ) n COOR 4, SO 3 H, (CH 2 ) n SO 3 H or CONH-R 10; one of R 2 and R 3 is H and the other is R 5.