2-allyl-2-(3-methylbut-2-enyl)malonic acid methyl ester | 526224-11-3

• 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: 2-allyl-2-(3-methylbut-2-enyl)malonic acid methyl ester
• CAS: 526224-11-3
• 化学式: C₁₂H₁₈O₄
• 分子量: 226.273
• InChiKey: ZXXHUPXVDGMDSY-UHFFFAOYSA-N

物化性质

• 沸点：
  320.4±30.0 °C(Predicted)
• 密度：
  1.060±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-allyl-2-(3-methylbut-2-enyl)malonic acid methyl ester 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 以67%的产率得到2-allyl-5-methylhex-4-en-1-ol
  参考文献：
  名称：

  Hydroamination and Hydroalkoxylation Catalyzed by Triflic Acid. Parallels to Reactions Initiated with Metal Triflates

  摘要：

  Intermolecular additions of the O-H bonds of phenols and alcohols and the N-H bonds of sulfonamides and benzamide to olefins catalyzed by 1 mol % of triflic acid and studies to define the relationship between these reactions and those catalyzed by metal triflates are reported. Cyclization of an alcohol containing pendant monosubstituted and trisubstituted olefins catalyzed by either triflic acid or metal triflates form products from addition to the more substituted olefin, and additions of tosylamide catalyzed by triflic acid or metal triflates form indistinguishable ratios of the two N-alkyl sulfonamides.

  DOI：

  10.1021/ol061174+
• 作为产物：
  描述：

  烯丙基丙二酸二甲酯 在 水 、 sodium hydride 、 sodium chloride 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 26.0h， 生成 2-allyl-2-(3-methylbut-2-enyl)malonic acid methyl ester
  参考文献：
  名称：

  Hydroamination and Hydroalkoxylation Catalyzed by Triflic Acid. Parallels to Reactions Initiated with Metal Triflates

  摘要：

  Intermolecular additions of the O-H bonds of phenols and alcohols and the N-H bonds of sulfonamides and benzamide to olefins catalyzed by 1 mol % of triflic acid and studies to define the relationship between these reactions and those catalyzed by metal triflates are reported. Cyclization of an alcohol containing pendant monosubstituted and trisubstituted olefins catalyzed by either triflic acid or metal triflates form products from addition to the more substituted olefin, and additions of tosylamide catalyzed by triflic acid or metal triflates form indistinguishable ratios of the two N-alkyl sulfonamides.

  DOI：

  10.1021/ol061174+