diethyl 5-bromomethylisophthalate | 156750-11-7

• 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 5-bromomethylisophthalate
• 英文别名: 5-(bromomethyl)isophthalic acid diethyl ester；Diethyl 5-(Bromomethyl)isophthalate；diethyl 5-(bromomethyl)benzene-1,3-dicarboxylate
• CAS: 156750-11-7
• 化学式: C₁₃H₁₅BrO₄
• 分子量: 315.164
• InChiKey: ILAPNOZLUVIFOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  diethyl 5-bromomethylisophthalate 在 tetra(n-butyl)ammonium dichromate(VI) 作用下， 以 氯仿 为溶剂， 反应 2.5h， 以76%的产率得到diethyl 5-formylisophthalate
  参考文献：
  名称：

  Combining Different Hydrogen-Bonding Motifs To Self-Assemble Interwoven Superstructures

  摘要：

  DOI：

  10.1002/(sici)1521-3765(19980416)4:4<577::aid-chem577>3.0.co;2-t
• 作为产物：
  描述：

  5-甲基间苯二酸 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 、 水 为溶剂， 生成 diethyl 5-bromomethylisophthalate
  参考文献：
  名称：

  A 2D metal–organic framework for selective adsorptions on organic dyes

  摘要：

  Removal of organic dyes has become an important issue from the biological and environmental standpoint. A metal-organic framework {[Zn-2(L)(H2O)(DMA)]center dot DMA center dot H2O}(n) (1) (H4L = 9-(3,5-Dicarboxy-benzyl)-9H-carbazole-3,6-dicarboxylic acid, DMA = N, N'-dimethylacetamide) has been synthesized based on a multicarboxylate ligand through solvothermal reaction. Compound 1 has a 2D bilayered structure and exhibits effective adsorption on organic dyes. The adsorbing capacity of MB and MO are 139.6 mg/g and 116.9 mg/g, respectively. The selective adsorption properties on dyes were studied. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2016.03.024

文献信息

• [EN] 1,3,5-SUBSTITUTED PHENYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES DE PHENYLE 1,3,5-SUBSTITUES UTILES COMME INHIBITEURS DE LA BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2005103020A1

  公开（公告）日：2005-11-03

  The present invention is directed to 1,3,5-phenyl substituted derivative compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及1,3,5-苯基取代衍生物化合物，这些化合物是β-分泌酶的抑制剂，可用于治疗β-分泌酶参与的疾病，例如阿尔茨海默病。该发明还涉及包含这些化合物的药物组合物，以及这些化合物和组合物在治疗β-分泌酶参与疾病中的用途。
• Trisubstituted carbocyclic cyclophilin binding compounds and their use
  申请人：——

  公开号：US20020165275A1

  公开（公告）日：2002-11-07

  The present invention relates to novel, non-peptidic small organic compounds having an affinity for cyclophilin (CyP)-type immunophilin proteins, and to pharmaceutical compositions comprising one or more of the said compounds. The invention further relates to the uses of these compounds and compositions for binding CyP-type proteins, inhibiting their peptidyl-prolyl isomerase activity, and for research, development, and therapeutic applications in a variety of medical disorders.

  本发明涉及一种新型的非肽类小有机化合物，其具有与环肽亚精蛋白（CyP）型免疫蛋白亲和力，并且涉及包含所述化合物中的一个或多个的药物组合物。该发明还涉及这些化合物和组合物用于结合CyP型蛋白，抑制其肽基脯氨酸异构酶活性，并在各种医学疾病的研究、开发和治疗应用中的用途。
• [EN] BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] INHIBITEURS DE BENZYLETHER ET BENZYLAMINO DE BETA-SECRETASE POUR TRAITER LA MALADIE D'ALZHEIMER
  申请人：MERCK & CO INC

  公开号：WO2005051914A1

  公开（公告）日：2005-06-09

  The present invention is directed to benzylether and benzylamino derivative compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及苯乙醚和苄胺衍生物化合物，这些化合物是β-分泌酶的抑制剂，并且在治疗涉及β-分泌酶的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗涉及β-分泌酶的这类疾病中使用这些化合物和组合物。
• Isophthalate Ester-Terminated Dendrimers:  Versatile Nanoscopic Building Blocks with Readily Modifiable Surface Functionalities
  作者：Jeffrey W. Leon、Manabu Kawa、Jean M. J. Fréchet

  DOI：10.1021/ja961681u

  日期：1996.1.1

  and 64 terminal ester functionalities, respectively) have been subjected to a variety of surface modification reactions including hydrolysis, ester interchange, and amide−ester interchange, many of which proceed with complete conversion of the functional groups and in high isolated yield. The addition of alcohols such as benzyl alcohol or a first generation 3,5-di(benzyloxy)benzyl alcohol dendron to

  介绍了含有通用间苯二甲酸二乙酯端基的高度官能化聚醚树枝状聚合物的制备和改性。收敛合成包括在焦点处构建含有苄基溴功能的二酯封端树突及其随后与 4,4'-双酚核的连接。可以单独使用重结晶作为主要纯化手段来制备高达第三代的树突，从而可以在数十至数百克的规模上进行合成。第三代和第四代双树枝状大分子（分别具有 32 和 64 个末端酯官能团）已经进行了多种表面改性反应，包括水解、酯交换和酰胺酯交换，其中许多进行了官能团的完全转化并以高分离产率进行。将诸如苯甲醇或第一代 3,5-二（苄氧基）苯甲醇树枝状化合物等醇类添加到...
• Remote Controlled Intramolecular Exciplex Formation and Enhanced Photoisomerization in Stilbene-cored Poly(benzyl ether) Dendrimers with Alkoxycarbonyl Surface Functional Groups
  作者：Tsutomu Takizawa、Tatsuo Arai

  DOI：10.1246/cl.2011.1124

  日期：2011.10.5

  Exciplex-induced isomerization played a key role in highly efficient photoisomerization of stilbene-cored poly(benzyl ether) dendrimers tethering two alkoxycarbonyl surface functional groups at the meta position of each terminating phenyl group. This is the first report on the control of photochemical behavior of dendrimers using intramolecular exciplex formation.

  外激发复合物诱导的异构化在基于斯蒂尔本核心的聚(苄醚)树状高分子中起到了关键作用，这些树状高分子在每个终端苯基的meta位连接了两个烷氧基羧酸基表面功能团。这是首次报告通过分子内外激发复合物形成来控制树状高分子的光化学行为。