(2S,3R)-2-amino-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1,3-diol | 1392096-47-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2S,3R)-2-amino-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1,3-diol
• 英文别名: (2S,3R)-2-amino-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecane-1,3-diol
• CAS: 1392096-47-7
• 化学式: C₁₂H₁₄F₁₃NO₂
• 分子量: 451.228
• InChiKey: HCLOBULLKIISRV-NTSWFWBYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  66.5
• 氢给体数：
  3
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  3-(perfluorohexyl)prop-1-ene 在 Hoveyda-Grubbs catalyst second generation 、 palladium on activated charcoal 、 氢气 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 42.0 ℃ 、101.33 kPa 条件下， 反应 49.67h， 生成 (2S,3R)-2-amino-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododec-1,3-diol
  参考文献：
  名称：

  Sphingosine and clavaminol H derivatives bearing fluorinated chains and their cytotoxic activity

  摘要：

  Microwave induced cross-metathesis of perfluoroalkylated propenes with a substituted allyl alcohol is a simple and straightforward method for the synthesis of sphingosine derivatives possessing perfluoroalkyl chains. One of the prepared compounds was converted into the fluorinated clavaminol H derivative and its deacetylated congener. Selected compounds were subjected to preliminary testing for cytotoxic activity on several cancer cell lines. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2012.06.005

文献信息

• Sphingosine and clavaminol H derivatives bearing fluorinated chains and their cytotoxic activity
  作者：Eva Prchalová、Ivan Votruba、Martin Kotora

  DOI：10.1016/j.jfluchem.2012.06.005

  日期：2012.9

  Microwave induced cross-metathesis of perfluoroalkylated propenes with a substituted allyl alcohol is a simple and straightforward method for the synthesis of sphingosine derivatives possessing perfluoroalkyl chains. One of the prepared compounds was converted into the fluorinated clavaminol H derivative and its deacetylated congener. Selected compounds were subjected to preliminary testing for cytotoxic activity on several cancer cell lines. (C) 2012 Elsevier B.V. All rights reserved.