4-Tert-butyl-2-ethoxy-1,3,2lambda5-dioxaphospholane 2-oxide | 133191-35-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧磷杂环戊烷
• 英文名称: 4-Tert-butyl-2-ethoxy-1,3,2lambda5-dioxaphospholane 2-oxide
• 英文别名: 4-tert-butyl-2-ethoxy-1,3,2λ5-dioxaphospholane 2-oxide
• CAS: 133191-35-2；133191-36-3
• 化学式: C₈H₁₇O₄P
• 分子量: 208.194
• InChiKey: HHNXPQJQEPZDCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1,2-环氧丁烷 、 endo-3-ethoxy-6-methyl-N-phenyl-2,3-oxaphosphabicyclo<2.2.2>oct-5-ene-8,9-dicarboxamide 3-oxide 以 甲苯 为溶剂， 以65%的产率得到4-Tert-butyl-2-ethoxy-1,3,2lambda5-dioxaphospholane 2-oxide
  参考文献：
  名称：

  Reaction of epoxides with metaphosphoric acid derivatives

  摘要：

  Ethyl metaphosphate (EtOPO2), eliminated in the thermolysis of the bridged cyclic phosphonate endo-3-ethoxy-6-methyl-N-phenyl-2,3-oxaphosphabicyclo[2.2.2]oct-5-ene-8,9-dicarboximide 3-oxide, has been found to cause ring opening of epoxides, resulting in formation of 2-ethoxy-4-substituted 1,3,2-dioxaphospholane 2-oxides as major products. N,N-Diethyl metaphosphoramidate (Et2NPO2) reacted similarly. With ethyl metathiophosphate (EtOP(S)O), the 1,3,2-oxathiaphospholane 2-oxide ring was formed. Products of these reactions were characterized by P-31 NMR spectroscopy and by GC-MS. These reactions are presumed to be initiated by electrophilic attack of the metaphosphate on the epoxide oxygen to form a cyclic oxonium ion.

  DOI：

  10.1021/jo00008a017

文献信息

• NSAIDs derivatives and uses thereof
  申请人：Research Foundation of The City University of New York

  公开号：US10023555B2

  公开（公告）日：2018-07-17

  The present invention discloses novel compounds derived from NSAIDs and pharmaceutically acceptable salts thereof. Other aspects of the invention relate to use of the NSAID derivatives in treating inflammatory diseases and pharmaceutical compositions thereof.

  本发明公开了源自非甾体抗炎药的新型化合物及其药学上可接受的盐类。本发明的其他方面涉及非甾体抗炎药衍生物在治疗炎症性疾病中的用途及其药物组合物。
• Reaction of epoxides with metaphosphoric acid derivatives
  作者：Ryszard Bodalski、Louis D. Quin

  DOI：10.1021/jo00008a017

  日期：1991.4

  Ethyl metaphosphate (EtOPO2), eliminated in the thermolysis of the bridged cyclic phosphonate endo-3-ethoxy-6-methyl-N-phenyl-2,3-oxaphosphabicyclo[2.2.2]oct-5-ene-8,9-dicarboximide 3-oxide, has been found to cause ring opening of epoxides, resulting in formation of 2-ethoxy-4-substituted 1,3,2-dioxaphospholane 2-oxides as major products. N,N-Diethyl metaphosphoramidate (Et2NPO2) reacted similarly. With ethyl metathiophosphate (EtOP(S)O), the 1,3,2-oxathiaphospholane 2-oxide ring was formed. Products of these reactions were characterized by P-31 NMR spectroscopy and by GC-MS. These reactions are presumed to be initiated by electrophilic attack of the metaphosphate on the epoxide oxygen to form a cyclic oxonium ion.