7-ethoxycarbonyl-7-trifluoromethyl-3,3,5-trimethyl-1,1-phenylenedioxy-1-phospha-2,6,8-trioxabicyclo[3.2.1(1,5)]octane | 1232839-45-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-ethoxycarbonyl-7-trifluoromethyl-3,3,5-trimethyl-1,1-phenylenedioxy-1-phospha-2,6,8-trioxabicyclo[3.2.1(1,5)]octane
• 英文别名: Ethyl 3',3',5'-trimethyl-7'-(trifluoromethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,1'-2,6,8-trioxa-1lambda5-phosphabicyclo[3.2.1]octane]-7'-carboxylate；ethyl 3',3',5'-trimethyl-7'-(trifluoromethyl)spiro[1,3,2λ5-benzodioxaphosphole-2,1'-2,6,8-trioxa-1λ5-phosphabicyclo[3.2.1]octane]-7'-carboxylate
• CAS: 1232839-45-0
• 化学式: C₁₇H₂₀F₃O₇P
• 分子量: 424.311
• InChiKey: GVUYPWCEQJBETC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.45
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  72.45
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  4-(1,3,2-benzodioxaphosphol-2-yloxy)-4-methylpentan-2-one 、 3,3,3-三氟丙酮酸乙酯 以 二氯甲烷 为溶剂， 反应 168.0h， 以80%的产率得到7-ethoxycarbonyl-7-trifluoromethyl-3,3,5-trimethyl-1,1-phenylenedioxy-1-phospha-2,6,8-trioxabicyclo[3.2.1(1,5)]octane
  参考文献：
  名称：

  Synthesis of new spirophosphoranes bearing the phosphorus–carbon bond by cascade reactions of 2-(2-methyl-4-oxopent-2-yloxy)benzo- 1,3,2-dioxaphosphole with activated carbonyl compounds

  摘要：

  Cascade reactions of 2-(2-methyl-4-oxopent-2-yloxy)benzo-sigma(3)lambda(3)-1,3,2-dioxaphosphole with chloral, hexafluoroacetone, mezoxalic acid diethyl ester and trifluoropyruvic acid ethyl ester are a versatile approach to the synthesis of spirophosphoranes bearing a phosphorus-carbon bond with a high yield and stereoselectivity.

  DOI：

  10.1016/j.mencom.2010.01.016