四甲基戊烷-1,1,5,5-四羧酸酯 | 82031-49-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 四甲基戊烷-1,1,5,5-四羧酸酯
• 英文名称: tetramethyl pentane-1,1,5,5-tetracarboxylate
• 英文别名: dimethyl 2,6-bis(methoxycarbonyl)heptandioate；pentane-1,1,5,5-tetracarboxylic acid tetramethyl ester；Pentan-1,1,5,5-tetracarbonsaeure-tetramethylester
• CAS: 82031-49-0
• 化学式: C₁₃H₂₀O₈
• 分子量: 304.297
• InChiKey: OMHGFALCNDQVOU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  21
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  四甲基戊烷-1,1,5,5-四羧酸酯 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成
  参考文献：
  名称：

  A study of new bis(macrocyclic polyamine) ligands as inorganic and organic anion receptors

  摘要：

  DOI：

  10.1021/jo00288a009
• 作为产物：
  描述：

  戊烷-1,1,5,5-四羧酸 生成 四甲基戊烷-1,1,5,5-四羧酸酯
  参考文献：
  名称：

  Crombie; Hancock; Linstead, Journal of the Chemical Society, 1953, p. 3502

  摘要：

  DOI：

文献信息

• Electrooxidation of Malonate and Acetylacetate Derivatives in the Presence of Halide Ions
  作者：Mitsuhiro Okimoto、Yukio Takahashi

  DOI：10.1055/s-2002-34839

  日期：——

  β-Dicarbonyl compounds, such as dimethyl malonate derivatives and methyl acetoacetate derivatives, were electrooxidized in methanol in the presence of halogen ions to afford the corresponding dimethyl α-halomalonates and methyl α-halocarboxylates. Electrooxidation of bis(β-dimethoxycarbonyl) derivatives similarly afforded cyclic compounds and dihalides.

  二羰基化合物，如二甲基马来酸酯衍生物和乙酰乙酸甲酯衍生物，在氯离子存在下于甲醇中进行电氧化反应，得到了相应的二甲基α-卤代马来酸酯和甲基α-卤代羧酸酯。类似地，双(β-二甲氧基羰基)衍生物的电氧化也得到了环状化合物和二卤化物。
• Highly Regio- and Stereoselective Synthesis of Nine- to Twelve-Membered Cyclic Compounds by a Pd⁰-Catalyzed Cyclization Reaction between Allenes with a Nucleophilic Functionality and Organic Halides
  作者：Xinpeng Jiang、Qing Yang、Yihua Yu、Chunling Fu、Shengming Ma

  DOI：10.1002/chem.200900972

  日期：2009.7.27

  Simple cyclization: A novel method has been developed for the highly regio‐ and stereoselective synthesis of nine‐ to twelve‐membered cyclic compounds by a Pd0‐catalyzed cyclization reaction of allenes with a carbon or nitrogen nucleophilic functionality. Oxidative addition and carbopalladation gave anti‐π‐allyl palladium intermediates, then an exclusive intramolecular nucleophilic attack at the terminal

  简单环化：已开发出一种新方法，可通过Pd 0催化具有碳或氮亲核官能团的烯的环化反应，对9至12元环化合物进行高度区域和立体选择性合成。氧化加成和碳钯反应制得抗-π-烯丙基钯中间体，然后在丙二烯部分末端碳原子处的分子内亲核排他性进攻使E产物收率很高（参见方案； Ts =甲苯磺酰基； DMA = N，N-二甲基乙酰胺）。
• Imidazolium salts as phase transfer catalysts for the dialkylation and cycloalkylation of active methylene compounds
  作者：Sengodagounder Muthusamy、Boopathy Gnanaprakasam

  DOI：10.1016/j.tetlet.2004.11.141

  日期：2005.1

  The dialkylation and cycloalkylation reactions of active methylene compounds in the presence of readily available imidazolium salts (ionic liquids) as phase transfer catalysts were performed to afford the respective dialkylated or cycloalkylated products. This method is very efficient for the synthesis of 1,1-disubstituted derivatives and cyclopropane and cyclopentane ring systems in a facile manner

  在作为相转移催化剂的易得的咪唑鎓盐（离子液体）存在下，进行活性亚甲基化合物的二烷基化和环烷基化反应，得到相应的二烷基化或环烷基化产物。该方法对于以容易的方式合成1，1-二取代的衍生物以及环丙烷和环戊烷环体系非常有效。
• NOVEL AMPHIPATHIC MOLECULE BASED ON TANDEM MALONATE AND USE THEREOF
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US20200048297A1

  公开（公告）日：2020-02-13

  Provided are a newly developed tandem malonate-based amphipathic molecule, a method of preparing the same, and a method of extracting, solubilizing, stabilizing, crystallizing or analyzing a membrane protein using the same. In addition, the compound may be used to efficiently extract membrane proteins having various structures and characteristics from a cell membrane, compared to a conventional compound, to stably store the proteins in an aqueous solution for a long time, and may be used in functional and structural analysis thereof. The analysis of the structures and functions of the membrane proteins is one of the most attractive fields in current biology and chemistry, which are closely related to new drug development.

  提供了一种新开发的串联马龙酸基的两性分子，以及制备该分子的方法，以及使用该分子提取、溶解、稳定、结晶或分析膜蛋白的方法。此外，与传统化合物相比，该化合物可用于有效地从细胞膜中提取具有不同结构和特性的膜蛋白，稳定地将蛋白质存储在水溶液中长时间，并可用于其功能和结构分析。膜蛋白的结构和功能分析是当前生物学和化学中最具吸引力的领域之一，与新药开发密切相关。
• Amphipathic molecule based on tandem malonate and use thereof
  申请人：Industry-University Cooperation Foundation Hanyang University Erica Campus

  公开号：US10808003B2

  公开（公告）日：2020-10-20

  Provided are a newly developed tandem malonate-based amphipathic molecule, a method of preparing the same, and a method of extracting, solubilizing, stabilizing, crystallizing or analyzing a membrane protein using the same. In addition, the compound may be used to efficiently extract membrane proteins having various structures and characteristics from a cell membrane, compared to a conventional compound, to stably store the proteins in an aqueous solution for a long time, and may be used in functional and structural analysis thereof. The analysis of the structures and functions of the membrane proteins is one of the most attractive fields in current biology and chemistry, which are closely related to new drug development.

  本发明提供了一种新开发的串联丙二酸类两性分子、其制备方法以及使用其提取、溶解、稳定、结晶或分析膜蛋白的方法。此外，与传统化合物相比，该化合物可用于从细胞膜中高效提取具有各种结构和特性的膜蛋白，将其长期稳定地储存在水溶液中，并可用于对其进行功能和结构分析。膜蛋白的结构和功能分析是当前生物学和化学领域最具吸引力的领域之一，与新药开发密切相关。