5-Butyl-2-methyl-4,5-dihydro-furan-3-carboxylic acid methyl ester | 133364-53-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 5-Butyl-2-methyl-4,5-dihydro-furan-3-carboxylic acid methyl ester
• 英文别名: Methyl 2-butyl-5-methyl-2,3-dihydrofuran-4-carboxylate
• CAS: 133364-53-1
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: ZVNLDPANVDJPAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰乙酸甲酯 、 溶剂黄146 以5%的产率得到
  参考文献：
  名称：

  TARAKESHWAR, P.;IQBAL, JAVED;MANOGARAN, S., TETRAHEDRON, 47,(1991) N, C. 297-304

  摘要：

  DOI：

文献信息

• Cobalt(II) acetate promoted addition of acetoacetate to terminal olefins: A highly stereoselective synthesis of 5-alkyl-2-hydroxy 2 methyl-3-methoxycarbonyl tetrahydrofurans
  作者：Javed Iqbal、T.K.Praveen Kumar、S. Manogaran

  DOI：10.1016/s0040-4039(01)80778-4

  日期：1989.1

  Methylacetoacetate and terminal olefins react in presence of Cobalt(II) acetate and Oxygen to give the titled compound(2) in a highly stereoselective manner and the structure of this compound is elucidated by 1H NMR simulation studies.

  乙酰乙酸甲酯和末端烯烃在乙酸钴（II）和氧气的存在下反应，以高度立体选择性的方式得到标题化合物（2），并且该化合物的结构通过1 H NMR模拟研究得以阐明。
• Cobalt (II) acetate promoted oxidative additioh of 1,3-dicarbonyl compounds to alkenes under aerobic conditions
  作者：Javed Iqbal、Beena Bhatia、Naresh K. Nayyar

  DOI：10.1016/s0040-4020(01)86573-x

  日期：1991.8

  The reaction of 1,3-dicarbonyl compounds with various alkenes in presence of Co(OAC)2. XH2O under aerobic conditions gives dihydrofurans in moderate to good yields. The role of dioxygen is discussed by comparing these reactions under anerobic conditions.
• Stereoselective synthesis of substituted tetrahydrofurans - identification and analysis by proton NMR and MNDO, MM2 calculations
  作者：P. Tarakeshwar、Javed Iqbal、S. Manogaran

  DOI：10.1016/s0040-4020(01)80924-8

  日期：1991.1

  Methyl acetoacetate and terminal olefins react in the presence of cobalt(II) acetate and oxygen to give 5-alkyl-2-hydroxy-2-methyl-3-methoxycarbonyl tetrahydrofurans in a highly stereoselective manner. Proton NMR, semiempirical MNDO and empirical MM2 methods are used to identify the particular diastereomer and the energetics of the different isomers are discussed.
• US4636571A
  申请人：——

  公开号：US4636571A

  公开（公告）日：1987-01-13
• US4681703A
  申请人：——

  公开号：US4681703A

  公开（公告）日：1987-07-21