methyl 2-[(Z)-4-(4-methoxyphenyl)-5-morpholino-3-oxo-2,3-dihydrothiophen-2-ylidene]acetate | 476005-57-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-[(Z)-4-(4-methoxyphenyl)-5-morpholino-3-oxo-2,3-dihydrothiophen-2-ylidene]acetate
• 英文别名: methyl (2Z)-[4-(4-methoxyphenyl)-5-(morpholin-4-yl)-3-oxothiophen-2(3H)-ylidene]ethanoate；methyl (2Z)-2-[4-(4-methoxyphenyl)-5-morpholin-4-yl-3-oxothiophen-2-ylidene]acetate
• CAS: 476005-57-9
• 化学式: C₁₈H₁₉NO₅S
• 分子量: 361.419
• InChiKey: YNMGLNLVQLJXNV-KAMYIIQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 2-[(Z)-4-(4-methoxyphenyl)-5-morpholino-3-oxo-2,3-dihydrothiophen-2-ylidene]acetate 在 锌 作用下， 以 溶剂黄146 为溶剂， 反应 0.5h， 以20%的产率得到methyl 2-[4-(4-methoxyphenyl)-5-morpholino-3-oxo-2,3-dihydro-2-thienyl]acetate
  参考文献：
  名称：

  （3-Oxo-2,3-dihydrothiophen-2-yylne）-和（4-Oxothiazolidin-5-yylne）acetate烷基衍生物的合成及络合特性

  摘要：

  Condensation of dimethyl and diethyl acetylenedicarboxylate with thioacetamides gave the corresponding alkyl (3-oxo-2,3-dihydrothiophen-2-ylidene)- and (4-oxothiazolidin-5-ylidene)acetates. Treatment of these compounds with zinc in acetic acid resulted in reduction of the exocyclic double bonds. The products can be used in membrane processes as sodium cation carriers.

  DOI：

  10.1023/b:rujo.0000044550.62124.94
• 作为产物：
  描述：

  对甲氧基苯乙酮 在 sulfur 作用下， 以 乙醇 为溶剂， 反应 22.0h， 生成 methyl 2-[(Z)-4-(4-methoxyphenyl)-5-morpholino-3-oxo-2,3-dihydrothiophen-2-ylidene]acetate
  参考文献：
  名称：

  摘要：

  2-(Alkoxycarbonylmethylidene)-4-aryl-5- (dialkylamino)thiophen-3(2H)-ones were synthesized by condensation of N,N-(dialkyl)warylthioacetamides with dialkyl acetylenedicarboxylates. Intermediate substituted vinylic sulfides were isolated. When heated or in the presence of an acid or a base, they undergo cyclization into thiophenes.

  DOI：

  10.1023/a:1015868201847

文献信息

• ——
  作者：M. F. Kosterina、Yu. Yu. Morzherin、A. V. Tkachev、T. V. Rybalova、Yu. V. Gatilov、V. A. Bakulev

  DOI：10.1023/a:1015868201847

  日期：——

  2-(Alkoxycarbonylmethylidene)-4-aryl-5- (dialkylamino)thiophen-3(2H)-ones were synthesized by condensation of N,N-(dialkyl)warylthioacetamides with dialkyl acetylenedicarboxylates. Intermediate substituted vinylic sulfides were isolated. When heated or in the presence of an acid or a base, they undergo cyclization into thiophenes.
• Synthesis and Complexing Properties of Alkyl (3-Oxo-2,3-dihydrothiophen-2-ylidene)- and (4-Oxothiazolidin-5-ylidene)acetate Derivatives
  作者：M. F. Kosterina、Yu. Yu. Morzherin、O. A. Kramarenko、V. S. Berseneva、A. I. Matern、A. V. Tkachev、V. A. Bakulev

  DOI：10.1023/b:rujo.0000044550.62124.94

  日期：2004.6

  Condensation of dimethyl and diethyl acetylenedicarboxylate with thioacetamides gave the corresponding alkyl (3-oxo-2,3-dihydrothiophen-2-ylidene)- and (4-oxothiazolidin-5-ylidene)acetates. Treatment of these compounds with zinc in acetic acid resulted in reduction of the exocyclic double bonds. The products can be used in membrane processes as sodium cation carriers.