6-(4-EtOC6H4)-2,2-dimethyl-4H-1,3-dioxin-4-one | 120893-22-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 6-(4-EtOC6H4)-2,2-dimethyl-4H-1,3-dioxin-4-one
• 英文别名: 6-(4-Ethoxyphenyl)-2,2-dimethyl-1,3-dioxin-4-one
• CAS: 120893-22-3
• 化学式: C₁₄H₁₆O₄
• 分子量: 248.279
• InChiKey: XXLDMQHWMHPDGN-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114 °C(Solv: ethanol (64-17-5))
• 沸点：
  396.5±42.0 °C(Predicted)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(4-EtOC6H4)-2,2-dimethyl-4H-1,3-dioxin-4-one 在 N,N'-二环己基碳二亚胺 作用下， 以 1,2-二氯乙烷 、 xylene 为溶剂， 反应 0.9h， 生成 2-[(Z)-2-hydroxy-2-(4-ethoxyphenyl)-1-ethenyl]-4H-3,1-benzoxazin-4-one
  参考文献：
  名称：

  Cyclization of aroylacetic acids 2-carboxyphenylamides into 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure of 2-[(Z)-2-hydroxy-2-phenyl-1-ethenyl]-4H-3,1-benzoxazin-4-one

  摘要：

  2-Carboxyphenylamides of aroylacetic acids undergo cyclization when treated with dehydrating agents to give 2-[(Z)-2-aryl-2-hydroxy-1-ethenyl]-4H-3,1-benzoxazin-4-ones. Crystal and molecular structure ofthe latter phenyl derivative was studied by X-ray crystal lography.

  DOI：

  10.1134/s1070428007020121
• 作为产物：
  描述：

  5-(4-ethoxylphenyl)-2,3-dihydro-2,3-furandione 、 丙酮 以 苯 为溶剂， 反应 2.5h， 以89%的产率得到6-(4-EtOC6H4)-2,2-dimethyl-4H-1,3-dioxin-4-one
  参考文献：
  名称：

  Andreichikov, Yu. S.; Gein, V. L.; Kozlov, A. P., Journal of Organic Chemistry USSR (English Translation), 1988, vol. 24, p. 189 - 194

  摘要：

  DOI：

文献信息

• Five-membered 2,3-dioxo heterocycles: CVI. Acylation of substituted (Z)-2-[1,3,4,4a,5,10b-Hexahydrophenanthridin-6(2H)-ylidene]acetamide with aroylketenes. crystal and molecular structure of substituted N-{(Z)-2-[1,3,4,4a,5,10b-Hexahydrophenanthridin-6(2H)-ylidene]acetyl}acrylamide
  作者：V. V. Konovalova、Yu. V. Shklyaev、P. A. Slepukhin、A. N. Maslivets

  DOI：10.1134/s1070428014090206

  日期：2014.9

  Aroylketenes generated by thermolysis of 6-aryl-2,2-dimethyl-4H-1,3-dioxin-4-ones reacted with (Z)-2-[4a,7,10-trimethyl-1,3,4,4a,5,10b-hexahydrophenanthridin-6(2H)-ylidene]acetamide to give (Z)-3-aryl-3-hydroxy-N-(Z)-2-[4a,7,10-trimethyl-1,3,4,4a,5,10b-hexahydrophenanthridin-6(2H)-ylidene]acetyl}acrylamides whose structure was confirmed by X-ray analysis.

  由6-芳基-2,2-二甲基-4 H -1,3-二恶英-4-酮与（Z）-2- [4a，7,10-三甲基-1,3,4， 4a，5,10b-六氢菲啶-6（2 H）-亚烷基]乙酰胺得到（Z）-3-芳基-3-羟基-N -（Z）-2- [4a，7,10-三甲基-1 ，3,4,4a，5,10b-六氢菲啶-6（2 H）-亚烷基]乙酰基}丙烯酰胺，其结构经X射线分析证实。
• Hetero-diels-alder reaction of N-cyanoaniline and pyridinium cyano-(ethoxycarbonyl)methylide with aroylketenes generated in situ in thermolysis of 6-aryl-2,2-dimethyl-1,3-dioxin-4-ones
  作者：D. D. Nekrasov、A. S. Obukhova

  DOI：10.1007/s10593-006-0144-9

  日期：2006.5
• Five-membered 2,3-dioxo heterocycles: LXXVIII. Acylation of fischer’s base with aroylketenes. Crystalline and molecular structure of (1E, 3Z)-4-(4-chlorophenyl)-4-hydroxy-1-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)but-3-en-2-one
  作者：V. V. Konovalova、Yu. V. Shklyaev、P. A. Slepukhin、A. N. Maslivets

  DOI：10.1134/s1070428011070153

  日期：2011.7

  Aroylketenes generated by thermolysis of 6-aryl-2,2-dimethyl-4H-1,3-dioxin-4-ones reacted with 1,3,3-trimethyl-2-methylidene-1,3-dihydro-2H-indole (Fischer's base) to produce (1E,3Z)-4-aryl-4-hydroxy-1-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)but-3-en-2-ones. The crystalline and molecular structures of (1E,3Z)-4-(4-chlorophenyl)-4-hydroxy-1-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)but-3-en-2-one were determined by X-ray analysis.
• ANDREJCHIKOV, YU. S.;GEJN, V. L.;KOZLOV, A. P.;VINOKUROVA, O. V., ZH. ORGAN. XIMII, 24,(1988) N 1, 210-217
  作者：ANDREJCHIKOV, YU. S.、GEJN, V. L.、KOZLOV, A. P.、VINOKUROVA, O. V.

  DOI：——

  日期：——