diethyl 2-(4-fluorobutyl)-2-methylmalonate | 859437-28-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: diethyl 2-(4-fluorobutyl)-2-methylmalonate
• 英文别名: NST-ML-10E；Diethyl 2-(4-fluorobutyl)-2-methylpropanedioate
• CAS: 859437-28-8
• 化学式: C₁₂H₂₁FO₄
• 分子量: 248.295
• InChiKey: QOPBICGNZMTPGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl 2-(4-fluorobutyl)-2-methylmalonate 在 sodium hydroxide 、 水 作用下， 以 乙醇 为溶剂， 以99%的产率得到2-methyl-2(4-fluorobutyl)-malonic acid
  参考文献：
  名称：

  Perturbed membrane-binding compounds and methods of using the same

  摘要：

  本发明涉及选择性结合于正在经历扰动和改变其正常细胞膜组织的细胞的化合物，例如正在进行凋亡或激活的血小板。该发明进一步提供了利用这些化合物在医学实践中进行诊断和治疗的方法。

  公开号：

  US20050158239A1
• 作为产物：
  描述：

  diethyl 2-(but-3-enyl)-2-methylpropanedioate 在 Wilkinson's catalyst 、 磷酸 、 silver nitrate 、 Selectfluor 、 三氟乙酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 11.0h， 生成 diethyl 2-(4-fluorobutyl)-2-methylmalonate
  参考文献：
  名称：

  Silver-Catalyzed Radical Fluorination of Alkylboronates in Aqueous Solution

  摘要：

  We report herein an efficient and general method for the deboronofluorination of alkylboronates. Thus, with the catalysis of AgNO3, the reactions of various alkylboronic acids or their pinacol esters with Selectfluor reagent in acidic aqueous solution afforded the corresponding alkyl fluorides under mild conditions. A broad substrate scope and wide functional group compatibility were observed. A radical mechanism is proposed for this site-specific fluorination.

  DOI：

  10.1021/ja509548z

文献信息

• METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF
  申请人：Friedman Gad

  公开号：US20120029223A1

  公开（公告）日：2012-02-02

  Substituted alkyl methyl malonate compounds are produced in an essentially one step method, the method suitable for large scale production of alkyl malonate compounds. According to one embodiment the method comprises reacting a methyl malonate with a di-functional, doubly tosylated, alkyl chain.

  取代烷基甲基丙二酸酯化合物是通过基本上一步法制备的，该方法适用于大规模生产烷基丙二酸酯化合物。根据一种实施方式，该方法包括将甲基丙二酸酯与双官能团、双甲苯磺酸酯化的烷基链反应。
• [EN] METHOD FOR PRODUCTION OF SUBSTITUTED ALKYL MALONIC ESTERS AND DERIVATIVES THEREOF<br/>[FR] PROCÉDÉ POUR LA PRODUCTION D'ESTERS ALKYLIQUES DE L'ACIDE MALONIQUE SUBSTITUÉS ET DE DÉRIVÉS DE CEUX-CI
  申请人：APOSENSE LTD

  公开号：WO2012014195A1

  公开（公告）日：2012-02-02

  Substituted alkyl methyl malonate compounds are produced in an essentially one step method, the method suitable for large scale production of alkyl malonate compounds. According to one embodiment the method comprises reacting a methyl malonate with a di-functional, doubly tosylated, alkyl chain.

  替代烷基甲基丙二酸酯化合物是在基本上一步法中生产的，该方法适用于大规模生产烷基丙二酸酯化合物。根据一种实施例，该方法包括将甲基丙二酸酯与双官能团、双重对甲苯磺酸酯化的烷基链反应。
• WO2008/81447
  申请人：——

  公开号：——

  公开（公告）日：——
• Perturbed Membrane-Binding Compounds And Methods Of Using The Same
  申请人：Ziv Ilan

  公开号：US20080279774A1

  公开（公告）日：2008-11-13

  The present invention relates to compounds that selectively bind to cells undergoing perturbations and alterations of their normal plasma membrane organization, such as cells undergoing apoptosis or activated platelets. The invention further provides methods for utilizing said compounds in medical practice, for diagnostic and therapeutic purposes.
• COMPOUNDS AND METHODS FOR DETECTION OF CELLS
  申请人：Shirvan Anat

  公开号：US20100035296A1

  公开（公告）日：2010-02-11

  The invention relates to compounds comprising an ester group for the detection in vivo of cells undergoing cell death (“dying cells”) such as, for example, cells undergoing apoptosis. These compounds are selectively retained in dying cells relative to normal cells. Thus, the compounds may be used in the detection, diagnosis and treatment of clinical conditions manifested by a cell death process.