(E)-4-Hydroxy-3,6-dimethyl-hept-2-enoic acid methyl ester | 144175-89-3

• 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: (E)-4-Hydroxy-3,6-dimethyl-hept-2-enoic acid methyl ester
• CAS: 144175-89-3
• 化学式: C₁₀H₁₈O₃
• 分子量: 186.251
• InChiKey: ZWKBOBIEUOCSMG-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  13.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-4-Hydroxy-3,6-dimethyl-hept-2-enoic acid methyl ester 在 Pt Karstedt catalyst 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 生成 (4R,5R)-5-Isobutyl-2,2,4-trimethyl-[1,2]oxasilolane-3-carboxylic acid methyl ester
  参考文献：
  名称：

  A stereochemical study on the intramolecular hydrosilylation of α,β-unsaturated esters

  摘要：

  The intramokcular hydrosilylation of several 3-methyl-4-siloxy-2-butenoates afforded cis disubstituted lactones after desilylation. The diastereoinduction was sensitive to the bulk of the allylic substituent, but not to the groups on silicon. The origin of asymmetric induction is believed to be the A1,2 strain from the beta-methyl group.

  DOI：

  10.1016/s0040-4039(00)61182-6
• 作为产物：
  描述：

  methyl (E)-3-formylcrotonate 、 Isobutylmagnesium chloride 以 乙醚 为溶剂， 生成 (E)-4-Hydroxy-3,6-dimethyl-hept-2-enoic acid methyl ester
  参考文献：
  名称：

  A stereochemical study on the intramolecular hydrosilylation of α,β-unsaturated esters

  摘要：

  The intramokcular hydrosilylation of several 3-methyl-4-siloxy-2-butenoates afforded cis disubstituted lactones after desilylation. The diastereoinduction was sensitive to the bulk of the allylic substituent, but not to the groups on silicon. The origin of asymmetric induction is believed to be the A1,2 strain from the beta-methyl group.

  DOI：

  10.1016/s0040-4039(00)61182-6