4,9-di(hydroxyethyl)diamantane | 1430214-57-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,9-di(hydroxyethyl)diamantane
• 英文别名: 2-[9-(2-Hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol；2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol
• CAS: 1430214-57-5
• 化学式: C₁₈H₂₈O₂
• 分子量: 276.419
• InChiKey: WWIOGMSTIPQWCG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,9-di(hydroxyethyl)diamantane 在 硫酸 、 氢溴酸 作用下， 反应 10.0h， 生成 4,9-di(bromoethyl)diamantane
  参考文献：
  名称：

  Preparative Synthesis of Vinyl Diamondoids

  摘要：

  We describe a convenient four-step preparation of 1- vinyl adamantane, 1- vinyl diamantane, and 4,9-divinyl diamantane from the respective diamondoid acetic acids in 50-80% isolated yields involving esterification, reduction, and hydrobromination/dehydrobromination.Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.667491
• 作为产物：
  描述：

  4,9-dihydroxydiamantane 在 lithium aluminium tetrahydride 、 硫酸 作用下， 以 乙醚 为溶剂， 反应 30.0h， 生成 4,9-di(hydroxyethyl)diamantane
  参考文献：
  名称：

  Preparative Synthesis of Vinyl Diamondoids

  摘要：

  We describe a convenient four-step preparation of 1- vinyl adamantane, 1- vinyl diamantane, and 4,9-divinyl diamantane from the respective diamondoid acetic acids in 50-80% isolated yields involving esterification, reduction, and hydrobromination/dehydrobromination.Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2012.667491

文献信息

• Preparative Synthesis of Vinyl Diamondoids
  作者：Andrey A. Fokin、Ekaterina D. Butova、Anastasiya V. Barabash、Nhan N. Huu、Boryslav A. Tkachenko、Natalie A. Fokina、Peter R. Schreiner

  DOI：10.1080/00397911.2012.667491

  日期：2013.7.3

  We describe a convenient four-step preparation of 1- vinyl adamantane, 1- vinyl diamantane, and 4,9-divinyl diamantane from the respective diamondoid acetic acids in 50-80% isolated yields involving esterification, reduction, and hydrobromination/dehydrobromination.Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.