[(3aR,4R,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-7a-hydroxy-6-methoxy-2-sulfanylidene-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-4-yl]methyl 2,2-dimethylpropanoate | 1009818-13-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3aR,4R,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-7a-hydroxy-6-methoxy-2-sulfanylidene-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-4-yl]methyl 2,2-dimethylpropanoate
• CAS: 1009818-13-6
• 化学式: C₁₈H₂₉NO₈S
• 分子量: 419.496
• InChiKey: RNPRLNYGAHJTPI-ZCNSJZMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  乙醇 、 potassium thioacyanate 、 (2S,3S,5R,6R)-5-hydroxy-2-methoxy-4-oxo-6-(pivaloyloxymethyl)tetrahydro-2H-pyran-3-yl pivalate 在 盐酸 作用下， 反应 30.0h， 以22%的产率得到[(3aR,4R,6S,7R,7aS)-7-(2,2-dimethylpropanoyloxy)-7a-hydroxy-6-methoxy-2-sulfanylidene-3a,4,6,7-tetrahydro-1H-pyrano[4,3-d][1,3]oxazol-4-yl]methyl 2,2-dimethylpropanoate
  参考文献：
  名称：

  HSCN condensation with ulosides: preferred formation of carbohydrate-fused hemiaminals of the 4-hydroxy-1,3-oxazolidine-2-thione type

  摘要：

  Selected ulofuranosides and ulopyranosides react with thiocyanic acid to give good yields of stable carbohydrate-fused hemiaminal 1,3-oxazolidine-2-thiones. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.11.125

文献信息

• HSCN condensation with ulosides: preferred formation of carbohydrate-fused hemiaminals of the 4-hydroxy-1,3-oxazolidine-2-thione type
  作者：Sandrina Silva、Ana Catarina Simão、Arnaud Tatibouët、Patrick Rollin、Amelia Pilar Rauter

  DOI：10.1016/j.tetlet.2007.11.125

  日期：2008.1

  Selected ulofuranosides and ulopyranosides react with thiocyanic acid to give good yields of stable carbohydrate-fused hemiaminal 1,3-oxazolidine-2-thiones. (c) 2007 Elsevier Ltd. All rights reserved.