2-(2-Undecyl-[1,3]dithian-2-ylmethyl)-propane-1,3-diol | 798550-47-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 2-(2-Undecyl-[1,3]dithian-2-ylmethyl)-propane-1,3-diol
• 英文别名: 2-[(2-Undecyl-1,3-dithian-2-yl)methyl]propane-1,3-diol；2-[(2-undecyl-1,3-dithian-2-yl)methyl]propane-1,3-diol
• CAS: 798550-47-7
• 化学式: C₁₉H₃₈O₂S₂
• 分子量: 362.642
• InChiKey: KNEZMZBJQKVCER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  91.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  月桂酸乙烯酯 、 2-(2-Undecyl-[1,3]dithian-2-ylmethyl)-propane-1,3-diol 在 Candida antarctica lipase B 、 甲基叔丁基醚 作用下， 生成 Dodecanoic acid (S)-2-hydroxymethyl-3-(2-undecyl-[1,3]dithian-2-yl)-propyl ester
  参考文献：
  名称：

  Enzyme assisted syntheses of chiral building blocks for isosters of diglycerides, phospholipids and PAF

  摘要：

  Lipase catalyzed desymmetrizations of suitably substituted, achiral 1,3-diols lead to the corresponding chiral building blocks of high enantiomeric purities, starting materials for the synthesis of isosteric carba-analogues of 1,2-sn-diglycerides and phospholipids with interesting biological activities. Lipase catalyzed resolutions of the corresponding ether derivatives lead to the corresponding building blocks for carba-analogues of PAF. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.07.047
• 作为产物：
  描述：

  2,2-dimethyl-5-[(2-undecyl-1,3-dithian-2-yl)methyl]-1,3-dioxane 在 对甲苯磺酸 作用下， 以 乙醇 、 水 为溶剂， 以100%的产率得到2-(2-Undecyl-[1,3]dithian-2-ylmethyl)-propane-1,3-diol
  参考文献：
  名称：

  Enzyme assisted syntheses of chiral building blocks for isosters of diglycerides, phospholipids and PAF

  摘要：

  Lipase catalyzed desymmetrizations of suitably substituted, achiral 1,3-diols lead to the corresponding chiral building blocks of high enantiomeric purities, starting materials for the synthesis of isosteric carba-analogues of 1,2-sn-diglycerides and phospholipids with interesting biological activities. Lipase catalyzed resolutions of the corresponding ether derivatives lead to the corresponding building blocks for carba-analogues of PAF. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.07.047

文献信息

• Enzyme assisted syntheses of chiral building blocks for isosters of diglycerides, phospholipids and PAF
  作者：Karsten Lange、Manfred P. Schneider

  DOI：10.1016/j.tetasy.2004.07.047

  日期：2004.9

  Lipase catalyzed desymmetrizations of suitably substituted, achiral 1,3-diols lead to the corresponding chiral building blocks of high enantiomeric purities, starting materials for the synthesis of isosteric carba-analogues of 1,2-sn-diglycerides and phospholipids with interesting biological activities. Lipase catalyzed resolutions of the corresponding ether derivatives lead to the corresponding building blocks for carba-analogues of PAF. (C) 2004 Elsevier Ltd. All rights reserved.