(E)-1-(3,4-dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne | 905946-19-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-1-(3,4-dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne
• 英文别名: (e)-1-(3,4-Dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne；(E)-5-(3,4-dimethoxyphenyl)-1-phenylpent-1-en-4-yn-3-one
• CAS: 905946-19-2
• 化学式: C₁₉H₁₆O₃
• 分子量: 292.334
• InChiKey: PBGCVRPLNRMYFO-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-1-(3,4-dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne 在 sodium hydrogensulfide 作用下， 以 乙二醇甲醚 为溶剂， 反应 2.0h， 以96%的产率得到6-(3,4-dimethoxyphenyl)-2,3-dihydro-2-phenylthiopyran-4-one
  参考文献：
  名称：

  Synthesis of 2,3-Dihydrothiopyran-4-ones from 3-Oxo-1-pentene-4-ynes

  摘要：

  3-Oxo-1-pentene-4-ynes were converted with sodium sulfide or hydrogensulfide to give 2,6-disubstituted 2,3-dihydrothiopyran-4-one derivatives. The starting materials were prepared in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes.

  DOI：

  10.1007/s00706-006-0571-4
• 作为产物：
  描述：

  3,4-二甲氧基苯乙炔 在 manganese(IV) oxide 、 正丁基锂 作用下， 以 四氢呋喃 、 二氯甲烷 、 正戊烷 为溶剂， 生成 (E)-1-(3,4-dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne
  参考文献：
  名称：

  Synthesis of unsymmetrically 2,6-disubstituted 2,3-dihydrothiopyran-4-ones

  摘要：

  A series of 2,3-dihydrothiopyran-4-one derivatives with unequal substituents in the 2- and 6-position have been prepared by double conjugate addition of sulfide to enynones. These starting materials were accessed in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.05.080

文献信息

• Synthesis of unsymmetrically 2,6-disubstituted 2,3-dihydrothiopyran-4-ones
  作者：Anna Rosiak、Jens Christoffers

  DOI：10.1016/j.tetlet.2006.05.080

  日期：2006.7

  A series of 2,3-dihydrothiopyran-4-one derivatives with unequal substituents in the 2- and 6-position have been prepared by double conjugate addition of sulfide to enynones. These starting materials were accessed in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes. (c) 2006 Elsevier Ltd. All rights reserved.
• Synthesis of 2,3-Dihydrothiopyran-4-ones from 3-Oxo-1-pentene-4-ynes
  作者：Anna Rosiak、Ralf M. Müller、Jens Christoffers

  DOI：10.1007/s00706-006-0571-4

  日期：2007.1

  3-Oxo-1-pentene-4-ynes were converted with sodium sulfide or hydrogensulfide to give 2,6-disubstituted 2,3-dihydrothiopyran-4-one derivatives. The starting materials were prepared in two steps from terminal alkynes and alpha,beta-unsaturated aldehydes.