dimethyl 2-allyl-2-(hex-5-enyl)malonate | 1192351-17-9

• 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: dimethyl 2-allyl-2-(hex-5-enyl)malonate
• 英文别名: Dimethyl 2-hex-5-enyl-2-prop-2-enylpropanedioate；dimethyl 2-hex-5-enyl-2-prop-2-enylpropanedioate
• CAS: 1192351-17-9
• 化学式: C₁₄H₂₂O₄
• 分子量: 254.326
• InChiKey: NZNMOVHELWIEKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  dimethyl 2-allyl-2-(hex-5-enyl)malonate 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 以14%的产率得到dimethyl cyclooct-3-ene-1,1-dicarboxylate
  参考文献：
  名称：

  Trisubstituted Double Bond in the Cyclooctene Ring. Preparation Using the RCM Reaction

  摘要：

  Cyclization to eight-membered rings with a trisubstituted double bond was attempted using ring closing metathesis (RCM) reactions. Although simple substrates were not good candidates, the triene with a proper configuration cyclized to the cyclooctene with a tri-cycle (5-8-6 membered) in moderate yield. The formation of one-carbon smaller rings was also observed.

  DOI：

  10.3987/com-09-11720
• 作为产物：
  描述：

  烯丙基丙二酸二甲酯 、 6-溴-1-己烯 在 sodium hydride 作用下， 以 2,4-二硝基氟苯 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以73%的产率得到dimethyl 2-allyl-2-(hex-5-enyl)malonate
  参考文献：
  名称：

  Trisubstituted Double Bond in the Cyclooctene Ring. Preparation Using the RCM Reaction

  摘要：

  Cyclization to eight-membered rings with a trisubstituted double bond was attempted using ring closing metathesis (RCM) reactions. Although simple substrates were not good candidates, the triene with a proper configuration cyclized to the cyclooctene with a tri-cycle (5-8-6 membered) in moderate yield. The formation of one-carbon smaller rings was also observed.

  DOI：

  10.3987/com-09-11720