Methyl 3-ethyl-3-methyl-2-oxiranecarboxylate | 65492-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环氧化物
• 英文名称: Methyl 3-ethyl-3-methyl-2-oxiranecarboxylate
• 英文别名: methyl 2,3-epoxy-3-methylpentanoate；Methyl 3-ethyl-3-methyloxirane-2-carboxylate
• CAS: 65492-41-3
• 化学式: C₇H₁₂O₃
• 分子量: 144.17
• InChiKey: HTSLJNQJVVFIQA-UHFFFAOYSA-N

物化性质

• 沸点：
  147.8±15.0 °C(Predicted)
• 密度：
  1.045±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 3-ethyl-3-methyl-2-oxiranecarboxylate 在 ammonium hydroxide 作用下， 反应 8.0h， 生成 3-amino-2-hydroxy-3-methylpentanamide
  参考文献：
  名称：

  Preparative-Scale Synthesis of Two Metabolites Isolated from Soil Treated with Zoxium Fungicide and Kerb Herbicide

  摘要：

  The preparation in multigram scale of two metabolites 3-(3,5-dichloro-4-methyl-benzoylamino)-2-hydroxy-3-methyl-pentanoic acid and 3-(3,5-dichloro-benzoylamino)-3-methyl-2-oxo-butyric acid isolated from soil treated with either Zoxium fungicide or Kerb herbicide was efficiently accomplished using a common 5-step synthetic process starting from easily available raw materials.

  DOI：

  10.1021/jf0107196
• 作为产物：
  描述：

  二氯乙酸甲酯 、 丁酮 在 tris(2,2'-bipyridine)nickel(II) tetrafluoroborate 、 四丁基溴化铵 、 zinc dibromide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以73%的产率得到Methyl 3-ethyl-3-methyl-2-oxiranecarboxylate
  参考文献：
  名称：

  Metal exchange between an electrogenerated organonickel species and zinc halide: application to an electrochemical, nickel-catalyzed Reformatsky reaction

  摘要：

  The mechanism of the electroreductive coupling of alpha-chloro esters or alpha-chloro nitriles with carbonyl compounds by the means of a sacrificial zinc anode and a nickel catalyst was elucidated by electroanalytical techniques. The mechanism involved reduction of a Ni(II) complex to a Ni(0) complex, oxidative addition of the alpha-chloro ester to the Ni(0) complex, and a Zn(II)/Ni(II) exchange, leading to an organozinc Reformatsky reagent. The electrosynthesis of various beta-hydroxy esters, beta-hydroxy nitriles, and 2,3-epoxy esters was successfully achieved under extremely mild conditions.

  DOI：

  10.1021/jo00006a012

文献信息

• Method for producing polydienes and polydiene copolymers with reduced cold flow
  申请人：BRIDGESTONE CORPORATION

  公开号：US10301397B2

  公开（公告）日：2019-05-28

  A method for preparing a coupled polymer, the method comprising the steps of (i) polymerizing monomers to form a reactive polymer, and (ii) reacting the reactive polymer with a glycidic ester.

  一种制备偶联聚合物的方法，该方法包括以下步骤：(i) 单体聚合形成活性聚合物，(ii) 活性聚合物与缩水甘油酯反应。
• Method for isomerization a glycidate derivative
  申请人：SAGAMI CHEMICAL RESEARCH CENTER

  公开号：EP0153692B1

  公开（公告）日：1992-07-29
• METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW
  申请人：Bridgestone Corporation

  公开号：EP2780177A1

  公开（公告）日：2014-09-24
• Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow
  申请人：LUO Steven

  公开号：US20140296445A1

  公开（公告）日：2014-10-02

  A method for preparing a coupled polymer, the method comprising the steps of: (i) polymerizing monomers to form a reactive polymer, and (ii) reacting the reactive polymer with a glycidic ester.
• US4621150A
  申请人：——

  公开号：US4621150A

  公开（公告）日：1986-11-04