(E)-Methyl 3-ethenyl-4-hydroxy-4-methylpent-2-enoate

• 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: (E)-Methyl 3-ethenyl-4-hydroxy-4-methylpent-2-enoate
• 英文别名: methyl (2E)-3-(2-hydroxypropan-2-yl)penta-2,4-dienoate
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: AOZPJQAKJVSQHK-VOTSOKGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3-butyn-1-oxy)-2-methoxy-5,5-dimethyl-Δ³-1,3,4-oxadiazoline 以5%的产率得到
  参考文献：
  名称：

  Kassam Karim, Warkentin John, J. Org. Chem, 59 (1994) N 17, S 5071-5076

  摘要：

  DOI：

文献信息

• Thermolysis of 2-(3-Butyn-1-oxy)-2-methoxy-5,5-dimethyl-.DELTA.3-1,3,4-oxadiazoline in Solution. A remarkable Cascade of Carbene and Other Reactions
  作者：Karim Kassam、John Warkentin

  DOI：10.1021/jo00096a062

  日期：1994.8

  Thermolysis of 2-(3-butyn-1-oxy)-2-methoxy-5,5-dimethyl-Delta(3)-1,3,4-oxadiazoline in benzene or in toluene affords (1 alpha,1a alpha,3a alpha,6a alpha,6b alpha)-methyl 1a-ethenyloctahydro-6a-methoxy-2,2-dimethyl-3,6- dioxacyclobut[cd]indene-1-carboxylate in up to 74% yield. A reasonable mechanism involves about ten sequential steps and some novel intermediates including a dioxycarbene, a cyclopropenone ketal, and a vinylogous dioxycarbene. Various steps in the proposed mechanism were inferred from the results of deuterium-labeling experiments and from the incorporation of key intermediates from solution into the final product.
• Kassam Karim, Warkentin John, J. Org. Chem, 59 (1994) N 17, S 5071-5076
  作者：Kassam Karim, Warkentin John

  DOI：——

  日期：——