2-(3-bromophenyl)-5,5-dimethyl-1,3-dioxane

• 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: 2-(3-bromophenyl)-5,5-dimethyl-1,3-dioxane
• 化学式: C₁₂H₁₅BrO₂
• 分子量: 271.154
• InChiKey: DLIANJNZCYTSCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(3-bromophenyl)-5,5-dimethyl-1,3-dioxane 在 吡啶 、 盐酸 、 四丁基高锰酸胺盐 、 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 3-[9-(4-heptyloxy-phenyl)-[1,10]phenanthrolin-2-yl]-benzoic acid
  参考文献：
  名称：

  Dynamic combinatorial library for fullerene receptors based on metal-assisted self-assembly

  摘要：

  A dynamic combinatorial library was prepared by the metal-induced self-assembly of phenanthroline derivatives having a guest binding unit. The binding assay using ESI mass spectrometry found out the effective combination of guest binding units for fullerene binding. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2006.09.002
• 作为产物：
  描述：

  间溴苯甲醛 、 2,2-二甲基-1,3-丙二醇 在 对甲苯磺酸 作用下， 以 苯 为溶剂， 以97%的产率得到2-(3-bromophenyl)-5,5-dimethyl-1,3-dioxane
  参考文献：
  名称：

  Dicarbaporphyrinoid系统。氧代-合成形容词-dibenziphlorins

  摘要：

  通过使受保护的溴苯甲醛与正丁基锂和N，N-二甲基氨基甲酸乙酯顺序反应，生成了一系列二甲酰基二苯甲酮。缩醛保护基被回流的甲酸裂解。2，2'，4，4'-四甲氧基二苯甲酮的Vilsmeier-Haack甲酰化反应也提供了相关的二醛。三种二苯甲酮二醛与二吡咯基甲烷的麦克唐纳“ 2 + 2”缩合反应产生了由两个苯和两个吡咯环构成的氧卟啉类似物。游离碱恶二苯并hl庚因在溶液中相当不稳定，并且在大多数情况下，这些卟啉类化合物作为相应的三氟乙酸盐被分离出来。6-氧代邻苯二甲酸酯的光谱性质-dibenziphlorins与非芳族环系统一致。DFT计算表明，大环与平面度大不相同，特别是当芳烃环上存在甲氧基取代基时。

  DOI：

  10.1021/jo401756q

文献信息

• Bismuth Compounds in Organic Synthesis: Synthesis of Dioxanes, Dioxepines, and Dioxolanes Catalyzed by Bismuth(III) Triflate
  作者：Ram Mohan、Daniel Podgorski、Scott Krabbe、Long Le、Paul Sierszulski

  DOI：10.1055/s-0030-1258148

  日期：2010.8

  A simple method for the synthesis of 1,3-dioxolanes from carbonyl compounds has been developed using 1,2-bis(tri­methylsilyloxy)ethane in the presence of bismuth(III) triflate as a catalyst. The bismuth(III) triflate catalyzed synthesis of a range of dioxanes and dioxepines has also been developed. In these latter cases, the carbonyl compound is treated with a diol, and triethyl orthoformate is used as a water scavenger. All these methods avoid the use of a Dean-Stark trap.

  开发了一种利用1,2-双(三甲基硅氧)乙烷在三氟甲磺酸铋催化下合成醛酮类化合物生成1,3-二氧戊环的简便方法。还开发了三氟甲磺酸铋催化的合成一系列二氧六环和二氧庚环的方法。在这些后者的反应中，醛酮化合物与二醇反应，并使用三乙氧基甲烷作为水分清除剂。所有这些方法都避免了使用Dean-Stark分水器。
• Self-Assembling Molecular Capsules Based on α,γ-Cyclic Peptides
  作者：Haxel Lionel Ozores、Manuel Amorín、Juan R. Granja

  DOI：10.1021/jacs.6b10456

  日期：2017.1.18

  new capsule based on a β-sheet self-assembling cyclic peptide with the ability to recognize and release several guests is described. The host structure is composed of two self-complementary α,γ-cyclic peptides bearing a Zn porphyrin cap that is used for the selective recognition of the guest. The two components are linked through two dynamic covalent bonds. The combination of binding forces, including

  描述了一种基于 β-折叠自组装环肽的新胶囊，具有识别和释放多个客人的能力。主体结构由两个带有锌卟啉帽的自互补 α,γ-环肽组成，用于选择性识别客体。这两个组件通过两个动态共价键连接。结合力的结合，包括氢键、金属配位和动态腙键，可以可逆地识别长联吡啶客体。对这些配体的亲和力显示出对客体长度的强烈依赖性。可以通过腙水解破坏夹心复合结构来实现封装配体的递送。
• Arene Connected Polyamine Macrocyclic Derivatives, Preparation Methods and Pharmaceutical Uses Thereof
  申请人：Li Song

  公开号：US20100179116A1

  公开（公告）日：2010-07-15

  The present invention relates to arene connected polyamine macrocyclic derivatives represented by general formula I, pharmaceutically acceptable salts or hydrates thereof which have anti-HIV activities, in which the definitions of substituents are as defined in the description; to preparation methods of the compounds of formula I; to pharmaceutical compositions containing the compounds of formula I or their pharmaceutically acceptable salts or hydrates; to the use of the compounds of formula I or their pharmaceutically acceptable salts or hydrates for the preparation of a medicament for the treatment and prevention of HIV-associated diseases.

  本发明涉及表示为一般式I的芳香烃连接的多胺大环衍生物、其药学上可接受的盐或水合物，具有抗HIV活性，其中取代基的定义如说明书所定义；本发明还涉及制备式I化合物的方法；含有式I化合物或其药学上可接受的盐或水合物的制药组合物；以及使用式I化合物或其药学上可接受的盐或水合物制备治疗和预防HIV相关疾病的药物。
• Arene connected polyamine macrocyclic derivatives, preparation methods and pharmaceutical uses thereof
  申请人：Li Song

  公开号：US08420626B2

  公开（公告）日：2013-04-16

  The present invention relates to arene connected polyamine macrocyclic derivatives represented by general formula I, pharmaceutically acceptable salts or hydrates thereof which have anti-HIV activities, in which the definitions of substituents are as defined in the description; to preparation methods of the compounds of formula I; to pharmaceutical compositions containing the compounds of formula I or their pharmaceutically acceptable salts or hydrates; to the use of the compounds of formula I or their pharmaceutically acceptable salts or hydrates for the preparation of a medicament for the treatment and prevention of HIV-associated diseases.

  本发明涉及通式I所表示的联结芳香烃的多胺大环衍生物，其药学上可接受的盐或水合物具有抗HIV活性，其中取代基的定义如描述中所定义；制备通式I化合物的方法；含有通式I化合物或其药学上可接受的盐或水合物的制药组合物；使用通式I化合物或其药学上可接受的盐或水合物制备治疗和预防HIV相关疾病的药物。
• ARENE CONNECTED POLYAMINE MACRORING DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2163553B1

  公开（公告）日：2013-12-25