3-Nitro-valeriansaeure-aethylester | 4093-52-1

• 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: 3-Nitro-valeriansaeure-aethylester
• 英文别名: Ethyl 3-nitropentanoate
• CAS: 4093-52-1
• 化学式: C₇H₁₃NO₄
• 分子量: 175.185
• InChiKey: SEUDXVNYMLAYNN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-bromo-valeric acid ethyl ester 在 间苯三酚 、 sodium nitrite 作用下， 以 正戊烷 为溶剂， 生成 3-Nitro-valeriansaeure-aethylester
  参考文献：
  名称：

  Biernacki,W.; Urbanski,T., Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1965, vol. 13, p. 349 - 354

  摘要：

  DOI：

文献信息

• General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis
  作者：Amber A. S. Gietter、Peter G. Gildner、Andrew P. Cinderella、Donald A. Watson

  DOI：10.1021/ol5014153

  日期：2014.6.6

  Using a simple copper catalyst, the alkylation of nitroalkanes with α-bromocarbonyls is now possible. This method provides a general, functional group tolerant route to β-nitrocarbonyl compounds, including nitro amides, esters, ketones, and aldehydes. The highly sterically dense, functional group rich products from these reactions can be readily elaborated into a range of complex nitrogen-containing

  使用简单的铜催化剂，硝基烷烃与 α-溴代羰基化合物的烷基化现在成为可能。该方法为β-硝基羰基化合物（包括硝基酰胺、酯、酮和醛）提供了一种通用的、官能团耐受的途径。来自这些反应的高空间密度、富含官能团的产物可以很容易地加工成一系列复杂的含氮分子，包括高度取代的 β-氨基酸。
• Method for producing polydienes and polydiene copolymers with reduced cold flow
  申请人：Bridgestone Corporation

  公开号：US10364300B2

  公开（公告）日：2019-07-30

  A method for preparing a coupled polymer, the method comprising the steps of polymerizing monomer to form a reactive polymer and reacting the reactive polymer with a carboxylic or thiocarboxylic ester containing a nitro group, where the carboxylic or thiocarboxylic ester containing a nitro group includes a single nitro group.

  一种制备偶联聚合物的方法，该方法包括以下步骤：使单体聚合形成活性聚合物，并使活性聚合物与含有硝基的羧酸酯或硫代羧酸酯反应，其中含有硝基的羧酸酯或硫代羧酸酯包括单个硝基。
• METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW
  申请人：Bridgestone Corporation

  公开号：EP3204429A1

  公开（公告）日：2017-08-16
• Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow
  申请人：Bridgestone Corporation

  公开号：US20170247478A1

  公开（公告）日：2017-08-31

  A method for preparing a coupled polymer, the method comprising the steps of polymerizing monomer to form a reactive polymer and reacting the reactive polymer with a carboxylic or thiocarboxylic ester containing a nitro group, where the carboxylic or thiocarboxylic ester containing a nitro group includes a single nitro group.
• [EN] METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW<br/>[FR] PROCÉDÉ DE PRODUCTION DE POLYDIÈNES ET DE COPOLYMÈRES DE POLYDIÈNE À FLUAGE À FROID RÉDUIT
  申请人：BRIDGESTONE CORP

  公开号：WO2016057388A1

  公开（公告）日：2016-04-14

  A method for preparing a coupled polymer, the method comprising the steps of polymerizing monomer to form a reactive polymer and reacting the reactive polymer with a carboxylic or thiocarboxylic ester containing a nitro group, where the carboxylic or thiocarboxylic ester containing a nitro group includes a single nitro group.