2,2-二氟戊二酸 | 380-86-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2,2-二氟戊二酸
• 英文名称: 2,2-difluoroglutaric acid
• 英文别名: 2,2-difluoropentanedioic acid；2,2-Difluor-glutarsaeure
• CAS: 380-86-9
• 化学式: C₅H₆F₂O₄
• 分子量: 168.097
• InChiKey: PIVAHSCRTJPWJU-UHFFFAOYSA-N

物化性质

• 熔点：
  103-105℃
• 沸点：
  293.3±35.0 °C(Predicted)
• 密度：
  1.510±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2,2-二氟戊二酸 在 乙酸酐 作用下， 以 甲苯 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  Synthesis of 2-aryl-3-hydroxymethyl-5,5-difluoropiperidines

  摘要：

  A strategy toward the synthesis of functionalized 5,5-difluoropiperidines, a class of compounds with potential as building block in medicinal chemistry, was developed. In a three-step procedure 2,2-difluoroglutaric anhydride was synthesized starting from ethyl bromodifluoroacetate. This key intermediate reacts fluently with various imines to yield 5,5-difluoropiperidinone carboxylic acids. Subsequent esterification of the obtained carboxylic acids enabled the isolation of trans-substituted 5,5difluoro-2-arylpiperidinone-3-carboxylates as the major isomers. Reduction of the difluorinated piperidinonecarboxylates using borane gave rise to new trans-2-aryl-1-benzyl-5,5-difluoro-3-hydroxymethylpiperidines in excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.08.049
• 作为产物：
  描述：

  1,1,2-三氟-2-氯-3-氰基 环丁烷 在 盐酸 作用下， 生成 2,2-二氟戊二酸
  参考文献：
  名称：

  α,α-Difluoroglutaric Acid

  摘要：

  DOI：

  10.1021/ja01163a108

文献信息

• Certain fluorine substituted PGI.sub.2 compounds
  申请人：The University of Chicago

  公开号：US04324730A1

  公开（公告）日：1982-04-13

  Prostaglandin and prostacyclin compounds which are fluorine substituted in any one or more of the following positions, 4,4; 7,7; 10,10; and 5.

  前列腺素和前列环素化合物，其中在以下任何一个或多个位置上取代氟，包括4,4；7,7；10,10和5。
• Chemical synthesis
  申请人：The University of Chicago

  公开号：US04456768A1

  公开（公告）日：1984-06-26

  Prostaglandin and prostacyclin compounds which are fluorine substituted in any one or more of the following positions 4,4; 7,7; 10,10; and 5.

  以下位置中任意一个或多个被氟取代的前列腺素和前列环素化合物：4,4；7,7；10,10；和5。
• [EN] COMPOUNDS AND METHODS OF TREATING CANCERS<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE CANCERS
  申请人：CULLGEN SHANGHAI INC

  公开号：WO2022073469A1

  公开（公告）日：2022-04-14

  This disclosure relates to GSPT1 degrader compounds (e.g. small molecule compounds), compositions comprising one or more of the compounds, and to methods of use the compounds for the treatment of certain disease in a subject in need thereof. The disclosure also relates to methods for identifying such compounds.

  本公开涉及GSPT1降解剂化合物（例如小分子化合物），包含一种或多种该化合物的组合物，以及使用该化合物治疗特定疾病的方法，适用于需要该治疗的个体。本公开还涉及识别这种化合物的方法。
• Synthesis of Several Fluorinated Cyclobutanes and Cyclobutenes
  作者：J. D. PARK、H. V. HOLLER、J. R. LACHER

  DOI：10.1021/jo01076a032

  日期：1960.6
• Synthesis of 2-aryl-3-hydroxymethyl-5,5-difluoropiperidines
  作者：Matthias Moens、Guido Verniest、Matthias De Schrijver、Peter ten Holte、Jan-Willem Thuring、Frederik Deroose、Norbert De Kimpe

  DOI：10.1016/j.tet.2012.08.049

  日期：2012.11

  A strategy toward the synthesis of functionalized 5,5-difluoropiperidines, a class of compounds with potential as building block in medicinal chemistry, was developed. In a three-step procedure 2,2-difluoroglutaric anhydride was synthesized starting from ethyl bromodifluoroacetate. This key intermediate reacts fluently with various imines to yield 5,5-difluoropiperidinone carboxylic acids. Subsequent esterification of the obtained carboxylic acids enabled the isolation of trans-substituted 5,5difluoro-2-arylpiperidinone-3-carboxylates as the major isomers. Reduction of the difluorinated piperidinonecarboxylates using borane gave rise to new trans-2-aryl-1-benzyl-5,5-difluoro-3-hydroxymethylpiperidines in excellent yields. (C) 2012 Elsevier Ltd. All rights reserved.