2-<(4S,6R)-4,6-dihydroxyheptyl>-2-methyl-1,3-dioxalane | 109927-93-7

• 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-<(4S,6R)-4,6-dihydroxyheptyl>-2-methyl-1,3-dioxalane
• 英文别名: 2-((4S,6R)-4,6-dihydroxyheptyl)-2-methyl-1,3-dioxalane
• CAS: 109927-93-7
• 化学式: C₁₁H₂₂O₄
• 分子量: 218.293
• InChiKey: DLQXCJCMSJVHPU-UWVGGRQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.05
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  58.92
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-<(4S,6R)-4,6-dihydroxyheptyl>-2-methyl-1,3-dioxalane 在 硫酸 作用下， 以 四氯化碳 为溶剂， 反应 1.5h， 以77%的产率得到(1R,3S,5S)-exo-1-3-dimethyl-2,9-dioxabicyclo<3.3.1.>nonane
  参考文献：
  名称：

  Synthesis of isomeric 1,3-dimethyl-2,9-dioxabicyclo[3.3.1]nonanes and 1’-hydroxybrevicomin from ethyl 5-oxohexenoate ethyleneacetal through cyclopropanation of an ester group followed by oxidative opening of the three-membered ring

  摘要：

  Syntheses were performed of (+/-)-endo-1,3-dimethyl-2,9-dioxabicyclo[3.3.1]nonane and (+/-)-1'-hydroxyexo-brevicomin constituting racemic forms of the secretion components of pine weever (Hylobius abietis) and bark beetle of upland pines (Dendroctonus ponderosae) through cyclopropanation of the ester group of an available ethyl 5-oxohexanoate ethyleneacetal with the subsequent oxidative opening of the three-membered ring in the compound obtained.

  DOI：

  10.1134/s1070428006050125
• 作为产物：
  描述：

  4-(2-甲基-1,3-二氧杂烷-2-基)丁酸乙酯 在 titanium(IV) isopropylate 、 air 、 Mn(II) abietate 作用下， 以 四氢呋喃 、 乙醚 、 苯 为溶剂， 反应 4.0h， 生成 2-<(4S,6R)-4,6-dihydroxyheptyl>-2-methyl-1,3-dioxalane
  参考文献：
  名称：

  Synthesis of isomeric 1,3-dimethyl-2,9-dioxabicyclo[3.3.1]nonanes and 1’-hydroxybrevicomin from ethyl 5-oxohexenoate ethyleneacetal through cyclopropanation of an ester group followed by oxidative opening of the three-membered ring

  摘要：

  Syntheses were performed of (+/-)-endo-1,3-dimethyl-2,9-dioxabicyclo[3.3.1]nonane and (+/-)-1'-hydroxyexo-brevicomin constituting racemic forms of the secretion components of pine weever (Hylobius abietis) and bark beetle of upland pines (Dendroctonus ponderosae) through cyclopropanation of the ester group of an available ethyl 5-oxohexanoate ethyleneacetal with the subsequent oxidative opening of the three-membered ring in the compound obtained.

  DOI：

  10.1134/s1070428006050125

文献信息

• Yadav, J. S.; Vidyasagar, V.; Sreenivasa Rao, E., Synthetic Communications, 1989, vol. 19, # 3and4, p. 605 - 612
  作者：Yadav, J. S.、Vidyasagar, V.、Sreenivasa Rao, E.

  DOI：——

  日期：——