Benzo[d]pyrano[3,4-g][1,3]-oxazocin-1(12H)-one, 3,4,6,7-tetrahydro-3,3,6,7-tetramethyl-6,12-methano-

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: Benzo[d]pyrano[3,4-g][1,3]-oxazocin-1(12H)-one, 3,4,6,7-tetrahydro-3,3,6,7-tetramethyl-6,12-methano-
• 英文别名: 5,5,9,10-tetramethyl-4,8-dioxa-10-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),11,13,15-tetraen-3-one
• 化学式: C₁₈H₂₁NO₃
• 分子量: 299.37
• InChiKey: LFFPOZPCJZIDQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (8CI,9CI)-1,2-二氢-1-甲基-2-亚甲基喹啉 、 6,6-dimethyldihydro-2H-pyran-2,4(3H)-dione 以 甲苯 为溶剂， 反应 2.0h， 以26%的产率得到Benzo[d]pyrano[3,4-g][1,3]-oxazocin-1(12H)-one, 3,4,6,7-tetrahydro-3,3,6,7-tetramethyl-6,12-methano-
  参考文献：
  名称：

  Reactions of cyclic 1,3-dicarbonyl compounds with 1,2(1,4)-dihydro-1-methyl-2(4)-methylene-N-heterocycles. A new access to 6,12-methano-dibenz[d,g]-[1,3]oxazocinones

  摘要：

  The enamine-type methylene-N-heterocycles 1-5 react with cyclic 2-ethoxymethylene-1,3-dicarbonyl compounds 6 to give 2-[2-(hetarylidene)ethylidene]-1,3-dicarbonyl compounds 7-14. The result of the reactions between 1,2-dihydro-1-methyl-2-methylene-quinoline (Ia) and cyclic 1,3-dicarbonyl compounds depends on the nature of the dihydro intermediates A/B. Dehydrogenation of keton intermediates A results in 2-(1,2-dimethyl-4(1H)-quinolylidene)-1,3-dicarbonyl compounds 17-21. Enol intermediates B with 6-membered dicarbonyl ring form 6,12-methano-dibenz[d,g][1,3]oxazocinones 22-25. H-1 NM R spectra and X-ray structure analysis prove the structure of 23.

  DOI：

  10.1007/bf00811679

文献信息

• Reactions of cyclic 1,3-dicarbonyl compounds with 1,2(1,4)-dihydro-1-methyl-2(4)-methylene-N-heterocycles. A new access to 6,12-methano-dibenz[d,g]-[1,3]oxazocinones
  作者：Hans-Georg Henning、Le Hoang Thanh、Jörg Laue、Barbara Urban、Günter Reck

  DOI：10.1007/bf00811679

  日期：1994.1

  The enamine-type methylene-N-heterocycles 1-5 react with cyclic 2-ethoxymethylene-1,3-dicarbonyl compounds 6 to give 2-[2-(hetarylidene)ethylidene]-1,3-dicarbonyl compounds 7-14. The result of the reactions between 1,2-dihydro-1-methyl-2-methylene-quinoline (Ia) and cyclic 1,3-dicarbonyl compounds depends on the nature of the dihydro intermediates A/B. Dehydrogenation of keton intermediates A results in 2-(1,2-dimethyl-4(1H)-quinolylidene)-1,3-dicarbonyl compounds 17-21. Enol intermediates B with 6-membered dicarbonyl ring form 6,12-methano-dibenz[d,g][1,3]oxazocinones 22-25. H-1 NM R spectra and X-ray structure analysis prove the structure of 23.