5,5-butamethylene-2-ethoxy-4-iodo-3-trifluoromethyl-1,2-oxaphosphol-3-ene 2-oxide | 1261218-61-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: 5,5-butamethylene-2-ethoxy-4-iodo-3-trifluoromethyl-1,2-oxaphosphol-3-ene 2-oxide
• 英文别名: 2-Ethoxy-4-iodo-2-oxido-3-(trifluoromethyl)-1-oxa-2-phosphoniaspiro[4.4]non-3-ene；2-ethoxy-4-iodo-2-oxido-3-(trifluoromethyl)-1-oxa-2-phosphoniaspiro[4.4]non-3-ene
• CAS: 1261218-61-4
• 化学式: C₁₀H₁₃F₃IO₃P
• 分子量: 396.085
• InChiKey: PFKTXOGOIXSMQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  41.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl 1-trifluoromethyl-2-cyclopentylidene-1-vinylphosphonate 在 碘 作用下， 以 乙腈 为溶剂， 反应 27.0h， 以87%的产率得到5,5-butamethylene-2-ethoxy-4-iodo-3-trifluoromethyl-1,2-oxaphosphol-3-ene 2-oxide
  参考文献：
  名称：

  Iodocyclization of trifluoromethylallenic phosphonates: an efficient approach to trifluoromethylated oxaphospholenes

  摘要：

  alpha-Trifluoromethylallenic phosphonates were prepared by the reaction of diethyl chlorophosphite (DECP) and 4,4,4-trifluorobut-2-yn-1-ols in the presence of Et3N. The iodocyclization of these fluorine-containing allenic phosphonates was achieved with iodine under mild conditions to give the corresponding trifluoromethylated oxaphospholenes in moderate to good yields. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.10.040

文献信息

• Iodocyclization of trifluoromethylallenic phosphonates: an efficient approach to trifluoromethylated oxaphospholenes
  作者：Peng Li、Zhen-Jiang Liu、Jin-Tao Liu

  DOI：10.1016/j.tet.2010.10.040

  日期：2010.12

  alpha-Trifluoromethylallenic phosphonates were prepared by the reaction of diethyl chlorophosphite (DECP) and 4,4,4-trifluorobut-2-yn-1-ols in the presence of Et3N. The iodocyclization of these fluorine-containing allenic phosphonates was achieved with iodine under mild conditions to give the corresponding trifluoromethylated oxaphospholenes in moderate to good yields. (C) 2010 Elsevier Ltd. All rights reserved.